# Molecular Formula Determination Engine AI Agent Connect

> A precision engine for calculating empirical formulas, molecular formulas, and degree of unsaturation.

## Overview
- **Category:** science
- **Price:** Free
- **Endpoint:** https://edge.vinkius.com/vk_preview_aA3mm9H0Sp5ywB9v5J2W0lSaDYiykgb4IP8O4Tvl/ai-agent-connect
- **Tags:** chemistry, stoichiometry, molecular-formula, empirical-formula, science

## Description

This MCP server provides high-precision stoichiometric calculations for chemical analysis. It allows AI agents to determine the simplest whole-number ratios of elements using `find_empirical_formula`, derive actual molecular formulas from empirical data with `calculate_molecular_formula`, and calculate the degree of unsaturation using `calculate_unsaturation`. It also supports converting mass percentages directly into formulas via `derive_from_composition`. These tools are essential for researchers and students working with mass spectrometry data and elemental composition analysis.

## Tools

### calculate_molecular_formula
Derives the actual molecular formula from the empirical formula and known mass data

### calculate_unsaturation
g., "C6H12O6").

Determines the degree of unsaturation for a given molecular formula

### derive_from_composition
Converts mass percentages into a molecular formula

### find_empirical_formula
Determines the simplest whole-number ratio of elements from their masses

## Prompt Examples

**Prompt:** 
```
What is the molecular formula if the empirical formula is CH2 and the molar mass is 42 g/mol?
```

**Response:** 
```
The molecular formula is C3H6.
```

**Prompt:** 
```
Find the empirical formula for a compound with 40% Carbon, 6.7% Hydrogen, and 53.3% Oxygen.
```

**Response:** 
```
The empirical formula is CH2O.
```

**Prompt:** 
```
What is the degree of unsaturation for C6H12O6?
```

**Response:** 
```
The degree of unsaturation for C6H12O6 is 1.
```

## Frequently Asked Questions

**How do I calculate the molecular formula?**
You can use the `calculate_molecular_formula` tool by providing the empirical formula and the target molar mass.

**Can I use mass spectrometry data?**
Yes, the `calculate_molecular_formula` tool accepts an optional `msMassData` parameter to refine the molar mass using the molecular ion peak.

**What is the degree of unsaturation?**
The degree of unsaturation represents the total number of rings and pi bonds in a molecule, which can be found using `calculate_unsaturation`.