CID 845260

1,2-dimethyl-1h-1,3-benzodiazole-5-carboxylic acid

Structural Information

Molecular Formula
C10H10N2O2
SMILES
CC1=NC2=C(N1C)C=CC(=C2)C(=O)O
InChI
InChI=1S/C10H10N2O2/c1-6-11-8-5-7(10(13)14)3-4-9(8)12(6)2/h3-5H,1-2H3,(H,13,14)
InChIKey
YEOZQWRDUXNFTF-UHFFFAOYSA-N
Compound name
1,2-dimethylbenzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

91
Patents

190.07423 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.08151 138.1
[M+Na]+ 213.06345 149.8
[M-H]- 189.06695 140.1
[M+NH4]+ 208.10805 158.0
[M+K]+ 229.03739 146.6
[M+H-H2O]+ 173.07149 131.9
[M+HCOO]- 235.07243 160.0
[M+CH3COO]- 249.08808 181.8
[M+Na-2H]- 211.04890 143.6
[M]+ 190.07368 141.3
[M]- 190.07478 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

literature stripe

Patent stripe

patents stripe