CID 1475901

4-(1h-imidazol-2-yl)benzoic acid

Structural Information

Molecular Formula

C₁₀H₈N₂O₂

SMILES

C1=CC(=CC=C1C2=NC=CN2)C(=O)O

InChI

InChI=1S/C10H8N2O2/c13-10(14)8-3-1-7(2-4-8)9-11-5-6-12-9/h1-6H,(H,11,12)(H,13,14)

InChIKey

YJCYHGYOXHANSY-UHFFFAOYSA-N

Compound name

4-(1H-imidazol-2-yl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 269
Patents: 188.05858 Da
Monoisotopic Mass: 1.4
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]+	189.06586	139.7
[M+Na]+	211.04780	151.9
[M+NH4]+	206.09240	146.7
[M+K]+	227.02174	148.6
[M-H]-	187.05130	140.8
[M+Na-2H]-	209.03325	146.8
[M]+	188.05803	141.5
[M]-	188.05913	141.5

Literature stripe

literature stripe

Patent stripe

patents stripe