| SpectraBase Spectrum ID |
6F05I6y3xyZ |
| Name |
Creatinine,3-acetyl- |
| CAS Registry Number |
112538-45-1 |
| Classification |
Chemical |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
155.069476540 u |
| Formula |
C6H9N3O2 |
| InChI |
InChI=1S/C6H9N3O2/c1-4(10)9-5(11)3-8(2)6(9)7/h7H,3H2,1-2H3/b7-6- |
| InChIKey |
QMQDYPSDRZORPH-SREVYHEPSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
155.157 g/mol |
| Nominal Mass |
155 u |
| Quality |
990 |
| Retention Index |
1375 |
| SMILES |
C1(N(C(CN1C)=O)C(=O)C)=N |
| SPLASH |
splash10-0006-8900000000-e2f7974c498cf98e2c56 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3-acetyl-2-imino-1-methylimidazolidin-4-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_033221 |
