CID 574321

1h-imidazole-2-carboxylic acid

Structural Information

Molecular Formula

C₄H₄N₂O₂

SMILES

C1=CN=C(N1)C(=O)O

InChI

InChI=1S/C4H4N2O2/c7-4(8)3-5-1-2-6-3/h1-2H,(H,5,6)(H,7,8)

InChIKey

KYWMCFOWDYFYLV-UHFFFAOYSA-N

Compound name

1H-imidazole-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 154
References: 11950
Patents: 112.027275 Da
Monoisotopic Mass: -0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	113.034551	118.8
[M+Na]+	135.016493	127.3
[M-H]-	111.019999	117.4
[M+NH4]+	130.061098	138.9
[M+K]+	150.990433	125.8
[M+H-H2O]+	95.024535	112.6
[M+HCOO]-	157.025476	139.7
[M+CH3COO]-	171.041126	160.4
[M+Na-2H]-	133.001941	124.9
[M]+	112.02672642	116.2
[M]-	112.02782358	116.2

Literature stripe

literature stripe

Patent stripe

patents stripe