| SpectraBase Compound ID | CNAV8nvfjp |
|---|---|
| InChI | InChI=1S/C6H11NO/c1-2-6(5-8)3-4-7/h6,8H,2-3,5H2,1H3 |
| InChIKey | YIZMYWLRVCSEQD-UHFFFAOYSA-N |
| Mol Weight | 113.16 g/mol |
| Molecular Formula | C6H11NO |
| Exact Mass | 113.084064 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9JSdWfZ926m |
|---|---|
| Name | 3-(Hydroxymethyl)pentanenitrile |
| CAS Registry Number | 108168-86-1 |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C6H11NO |
| InChI | InChI=1S/C6H11NO/c1-2-6(5-8)3-4-7/h6,8H,2-3,5H2,1H3 |
| InChIKey | YIZMYWLRVCSEQD-UHFFFAOYSA-N |
| Molecular Weight | 113.160 g/mol |
| SMILES | OCC(CC#N)CC |
| SPLASH | splash10-0a4i-9000000000-b1a5f7c8228b596e40b3 |
| Source of Spectrum | J-52-2787-14 |
| Wiley ID | 1123938 |