CID 3046613

1h-benzimidazole-5-acetic acid, 2-methyl-, monohydrochloride

Structural Information

Molecular Formula
C10H10N2O2
SMILES
CC1=NC2=C(N1)C=C(C=C2)CC(=O)O
InChI
InChI=1S/C10H10N2O2/c1-6-11-8-3-2-7(5-10(13)14)4-9(8)12-6/h2-4H,5H2,1H3,(H,11,12)(H,13,14)
InChIKey
KFTOKXRMVWZJHK-UHFFFAOYSA-N
Compound name
2-(2-methyl-3H-benzimidazol-5-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

190.07423 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.081506 139.0
[M+Na]+ 213.063448 149.3
[M-H]- 189.066954 139.2
[M+NH4]+ 208.108053 157.8
[M+K]+ 229.037388 145.2
[M+H-H2O]+ 173.071490 132.7
[M+HCOO]- 235.072431 159.3
[M+CH3COO]- 249.088081 178.1
[M+Na-2H]- 211.048896 144.7
[M]+ 190.07368142 139.9
[M]- 190.07477858 139.9
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