| SpectraBase Spectrum ID |
2mlTp085IsC |
| Name |
Creatinine |
| CAS Registry Number |
60-27-5 |
| Classification |
Muscle metabolite |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
113.058911856 u |
| Formula |
C4H7N3O |
| InChI |
InChI=1S/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2H2,1H3,(H2,5,6,8) |
| InChIKey |
DDRJAANPRJIHGJ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
113.120 g/mol |
| Nominal Mass |
113 u |
| Quality |
854 |
| Retention Index |
1088 |
| SMILES |
C1(N(CC(N1)=O)C)=N |
| SPLASH |
splash10-0006-9200000000-be5c4868faa17925b792 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-Amino-1-methyl-5H-imidazol-4-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000824 |
