| SpectraBase Compound ID | 70jPUYANQUE |
|---|---|
| InChI | InChI=1S/C5H10N2/c1-3-5(4-6)7-2/h5,7H,3H2,1-2H3 |
| InChIKey | WRGZNMYHMLXWRH-UHFFFAOYSA-N |
| Mol Weight | 98.15 g/mol |
| Molecular Formula | C5H10N2 |
| Exact Mass | 98.084398 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9K3PeXaD9Ay |
|---|---|
| Name | 2-(Methylamino)butanenitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 98.084398330 u |
| Formula | C5H10N2 |
| InChI | InChI=1S/C5H10N2/c1-3-5(4-6)7-2/h5,7H,3H2,1-2H3 |
| InChIKey | WRGZNMYHMLXWRH-UHFFFAOYSA-N |
| Molecular Weight | 98.149 g/mol |
| SMILES | CNC(C#N)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.896488 |