1H-Imidazole-4-carboxylic acid

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Systematic / IUPAC Name: 1H-Imidazole-4-carboxylic acid

ID: Reference3257

Other Names: 1H-Imidazole-5-carboxylic acid;
3H-Imidazole-4-carboxylic acid;
4-Carboxy-1H-imidazole;
4-Carboxyimidazole;
4-Imidazolecarboxylic acid ; more

Formula: C4H4N2O2

Spectral Data

1H-Imidazole-4-carboxylic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 186
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/5/2015 2:00:01 PM
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Identificators

InChI InChI=1S/C4H4N2O2/c7-4(8)3-1-5-2-6-3/h1-2H,(H,5,6)(H,7,8)
InChI Key NKWCGTOZTHZDHB-UHFFFAOYSA-N
Canonical SMILES C1=C(NC=N1)C(=O)O
CAS 1072840
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Other Names 1H-Imidazole-5-carboxylic acid;
3H-Imidazole-4-carboxylic acid;
4-Carboxy-1H-imidazole;
4-Carboxyimidazole;
4-Imidazolecarboxylic acid;
5-Carboxy-1H-imidazole;
5-Imidazolic acid;
Imidazole-4-carboxylic acid;
Imidazole-5-carboxylic acid

In Other Databases

PubChem 14080
ChemIDPlus 001072840
ChemSpider 13460
ChEMBL CHEMBL1773943