Imidazole-1-acetic acid
13823
Reference
Imidazole-1-acetic acid Structure
Systematic / IUPAC Name: 2-Imidazol-1-ylacetic acid
ID: Reference13823
Other Names:
1H-Imidazole-1-acetic acid;
AA-4125
Formula: C5H6N2O2
Class: Endogenous Metabolites
Spectral Data
Imidazole-1-acetic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap ID-X with ETD_Cal Gateshead |
| No. of Spectral Trees | 2 |
| No. of Spectra | 599 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 3/16/2026 7:19:20 PM |
Identificators
| InChI | InChI=1S/C5H6N2O2/c8-5(9)3-7-2-1-6-4-7/h1-2,4H,3H2,(H,8,9) |
| InChI Key | QAFBDRSXXHEXGB-UHFFFAOYSA-N |
| Canonical SMILES | O=C(O)Cn1ccnc1 |
| CAS | |
| Splash | |
| Other Names |
1H-Imidazole-1-acetic acid; AA-4125 |
In Other Databases
| ChEMBL | CHEMBL297390 |
| HMDb | HMDB0029736 |
| PubChem | 656129; 656129 |
| ChemSpider | 570527 |
| ChEBI | CHEBI:70801 |