| SpectraBase Spectrum ID |
JFosherPgbQ |
| Name |
Hygrine |
| CAS Registry Number |
496-49-1 |
| Classification |
Coca alkaloid |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
141.115364106 u |
| Formula |
C8H15NO |
| InChI |
InChI=1S/C8H15NO/c1-7(10)6-8-4-3-5-9(8)2/h8H,3-6H2,1-2H3/t8-/m1/s1 |
| InChIKey |
ADKXZIOQKHHDNQ-MRVPVSSYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
141.214 g/mol |
| Nominal Mass |
141 u |
| Quality |
899 |
| Retention Index |
1131 |
| SMILES |
[C@@]1(N(CCC1)C)(CC(=O)C)[H] |
| SPLASH |
splash10-001i-9000000000-c622bbc88f5d0f9c2777 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-[(2R)-1-Methyl-2-pyrrolidinyl]acetone |
| Technique |
GC/MS |
| Wiley ID |
DD2024_020152 |
