CID 12463111

53242-52-7

Structural Information

Molecular Formula

C₁₀H₈N₂O₃

SMILES

C1=CC(=C(C=C1N2C=CN=C2)C(=O)O)O

InChI

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

InChIKey

BCDMDOUWGCCDRR-UHFFFAOYSA-N

Compound name

2-hydroxy-5-imidazol-1-ylbenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 204.0535 Da
Monoisotopic Mass: 2.3
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]+	205.060776	141.0
[M+Na]+	227.042718	150.0
[M-H]-	203.046224	143.3
[M+NH4]+	222.087323	157.6
[M+K]+	243.016658	146.8
[M+H-H2O]+	187.050760	133.7
[M+HCOO]-	249.051701	161.7
[M+CH3COO]-	263.067351	178.7
[M+Na-2H]-	225.028166	145.1
[M]+	204.05295142	140.5
[M]-	204.05404858	140.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.