CID 3159719

(5,7-dimethyl-1h-benzoimidazol-2-yl)-acetic acid

Structural Information

Molecular Formula
C11H12N2O2
SMILES
CC1=CC(=C2C(=C1)NC(=N2)CC(=O)O)C
InChI
InChI=1S/C11H12N2O2/c1-6-3-7(2)11-8(4-6)12-9(13-11)5-10(14)15/h3-4H,5H2,1-2H3,(H,12,13)(H,14,15)
InChIKey
IHVAWDKGYTYBBR-UHFFFAOYSA-N
Compound name
2-(4,6-dimethyl-1H-benzimidazol-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

204.08987 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.09715 143.6
[M+Na]+ 227.07909 154.4
[M-H]- 203.08259 144.0
[M+NH4]+ 222.12369 162.2
[M+K]+ 243.05303 150.1
[M+H-H2O]+ 187.08713 137.4
[M+HCOO]- 249.08807 163.6
[M+CH3COO]- 263.10372 182.3
[M+Na-2H]- 225.06454 148.0
[M]+ 204.08932 145.3
[M]- 204.09042 145.3
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