SpectraBase Compound ID | 4CVNjrkJE4N |
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InChI | InChI=1S/C3H6N2.Cl/c1-5-3-2-4;/h5H,3H2,1H3; |
InChIKey | RVUSEZXCCMCCOH-UHFFFAOYSA-N |
Mol Weight | 105.55 g/mol |
Molecular Formula | C3H6ClN2 |
Exact Mass | 105.021951 g/mol |
SpectraBase Spectrum ID | 2md4C7Perre |
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Name | Methylaminoacetonitrile hydrochloride |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 105.021950901 u |
Formula | C3H6ClN2 |
InChI | InChI=1S/C3H6N2.Cl/c1-5-3-2-4;/h5H,3H2,1H3; |
InChIKey | RVUSEZXCCMCCOH-UHFFFAOYSA-N |
Molecular Weight | 105.548 g/mol |
Nominal Mass | 105 u |
SMILES | CNCC#N.[Cl] |
Spectrum/Structure Validation Score (Raman) | 0.954501 |