CID 84663749

1784661-23-9

Structural Information

Molecular Formula
C9H8N2O3
SMILES
CC1=NC2=C(N1)C=C(C=C2O)C(=O)O
InChI
InChI=1S/C9H8N2O3/c1-4-10-6-2-5(9(13)14)3-7(12)8(6)11-4/h2-3,12H,1H3,(H,10,11)(H,13,14)
InChIKey
GTVHBGNWZBYPJY-UHFFFAOYSA-N
Compound name
7-hydroxy-2-methyl-3H-benzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.0535 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.06078 137.8
[M+Na]+ 215.04272 148.9
[M-H]- 191.04622 137.2
[M+NH4]+ 210.08732 156.0
[M+K]+ 231.01666 144.8
[M+H-H2O]+ 175.05076 132.0
[M+HCOO]- 237.05170 157.1
[M+CH3COO]- 251.06735 176.1
[M+Na-2H]- 213.02817 142.9
[M]+ 192.05295 138.4
[M]- 192.05405 138.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.