CID 86102138

929533-65-3

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₃

SMILES

CC1=NC2=C(N1C)C=C(C=C2O)C(=O)O

InChI

InChI=1S/C10H10N2O3/c1-5-11-9-7(12(5)2)3-6(10(14)15)4-8(9)13/h3-4,13H,1-2H3,(H,14,15)

InChIKey

HIHMZZOBFFBDSI-UHFFFAOYSA-N

Compound name

7-hydroxy-2,3-dimethylbenzimidazole-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 206.06914 Da
Monoisotopic Mass: 1.0
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]+	207.07642	141.6
[M+Na]+	229.05836	153.6
[M-H]-	205.06186	142.6
[M+NH4]+	224.10296	160.3
[M+K]+	245.03230	150.1
[M+H-H2O]+	189.06640	135.7
[M+HCOO]-	251.06734	162.1
[M+CH3COO]-	265.08299	182.7
[M+Na-2H]-	227.04381	145.9
[M]+	206.06859	144.8
[M]-	206.06969	144.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.