CID 10607360

188106-94-7

Structural Information

Molecular Formula
C9H8N2O2
SMILES
CC1=NC2=C(C=CC=C2N1)C(=O)O
InChI
InChI=1S/C9H8N2O2/c1-5-10-7-4-2-3-6(9(12)13)8(7)11-5/h2-4H,1H3,(H,10,11)(H,12,13)
InChIKey
LVUZVFVJPPDROZ-UHFFFAOYSA-N
Compound name
2-methyl-1H-benzimidazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

114
Patents

176.05858 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.06586 134.9
[M+Na]+ 199.04780 147.6
[M+NH4]+ 194.09240 142.2
[M+K]+ 215.02174 144.4
[M-H]- 175.05130 134.6
[M+Na-2H]- 197.03325 140.1
[M]+ 176.05803 136.4
[M]- 176.05913 136.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe