SpectraBase Compound ID | BSUmW6WQCc7 |
---|---|
InChI | InChI=1S/C3H9NO2S/c1-7(5,6)3-2-4/h2-4H2,1H3 |
InChIKey | SDNXQWUJWNTDCC-UHFFFAOYSA-N |
Mol Weight | 123.17 g/mol |
Molecular Formula | C3H9NO2S |
Exact Mass | 123.0354 g/mol |
SpectraBase Spectrum ID | Cfm1Isr5CoI |
---|---|
Name | 2-Methanesulfonylethanamine |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 123.035399706 u |
Formula | C3H9NO2S |
InChI | InChI=1S/C3H9NO2S/c1-7(5,6)3-2-4/h2-4H2,1H3 |
InChIKey | SDNXQWUJWNTDCC-UHFFFAOYSA-N |
Molecular Weight | 123.170 g/mol |
SMILES | CS(CCN)(=O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.846828 |