CID 18355273

2839139-40-9

Structural Information

Molecular Formula
C10H10N2O2
SMILES
CC1=NC2=C(C=CC=C2N1C)C(=O)O
InChI
InChI=1S/C10H10N2O2/c1-6-11-9-7(10(13)14)4-3-5-8(9)12(6)2/h3-5H,1-2H3,(H,13,14)
InChIKey
CIKGQMOLESUBAR-UHFFFAOYSA-N
Compound name
1,2-dimethylbenzimidazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

190.07423 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.081506 138.1
[M+Na]+ 213.063448 149.8
[M-H]- 189.066954 140.1
[M+NH4]+ 208.108053 158.0
[M+K]+ 229.037388 146.6
[M+H-H2O]+ 173.071490 131.9
[M+HCOO]- 235.072431 160.0
[M+CH3COO]- 249.088081 181.8
[M+Na-2H]- 211.048896 143.6
[M]+ 190.07368142 141.3
[M]- 190.07477858 141.3
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