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

1
Patents

192.0535 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.060776 137.8
[M+Na]+ 215.042718 148.9
[M-H]- 191.046224 137.2
[M+NH4]+ 210.087323 156.0
[M+K]+ 231.016658 144.8
[M+H-H2O]+ 175.050760 132.0
[M+HCOO]- 237.051701 157.1
[M+CH3COO]- 251.067351 176.1
[M+Na-2H]- 213.028166 142.9
[M]+ 192.05295142 138.4
[M]- 192.05404858 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

patents stripe