SpectraBase Compound ID | 2lXYbTQAvdj |
---|---|
InChI | InChI=1S/C9H16N2/c1-11(8-7-10)9-5-3-2-4-6-9/h9H,2-6,8H2,1H3 |
InChIKey | KFGGRSVPUWVPQZ-UHFFFAOYSA-N |
Mol Weight | 152.24 g/mol |
Molecular Formula | C9H16N2 |
Exact Mass | 152.131349 g/mol |
SpectraBase Spectrum ID | IP7zq01upW0 |
---|---|
Name | 2-(Cyclohexyl(methyl)amino)acetonitrile |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 152.131348523 u |
Formula | C9H16N2 |
InChI | InChI=1S/C9H16N2/c1-11(8-7-10)9-5-3-2-4-6-9/h9H,2-6,8H2,1H3 |
InChIKey | KFGGRSVPUWVPQZ-UHFFFAOYSA-N |
Molecular Weight | 152.241 g/mol |
SMILES | C1CCCC(C1)N(CC#N)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.875239 |