CID 68685837

939999-26-5

Structural Information

Molecular Formula

C₁₀H₈N₂O₃

SMILES

C1=CC(=CC(=C1)N2C=CNC2=O)C(=O)O

InChI

InChI=1S/C10H8N2O3/c13-9(14)7-2-1-3-8(6-7)12-5-4-11-10(12)15/h1-6H,(H,11,15)(H,13,14)

InChIKey

PXDLZVLUNNAWAJ-UHFFFAOYSA-N

Compound name

3-(2-oxo-1H-imidazol-3-yl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 204.0535 Da
Monoisotopic Mass: 0.4
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]+	205.06078	142.4
[M+Na]+	227.04272	154.5
[M+NH4]+	222.08732	148.5
[M+K]+	243.01666	151.8
[M-H]-	203.04622	142.8
[M+Na-2H]-	225.02817	148.6
[M]+	204.05295	143.9
[M]-	204.05405	143.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe