CID 13415802

2-(2-cyclopropyl-1h-1,3-benzodiazol-1-yl)acetic acid hydrochloride

Structural Information

Molecular Formula
C12H12N2O2
SMILES
C1CC1C2=NC3=CC=CC=C3N2CC(=O)O
InChI
InChI=1S/C12H12N2O2/c15-11(16)7-14-10-4-2-1-3-9(10)13-12(14)8-5-6-8/h1-4,8H,5-7H2,(H,15,16)
InChIKey
CTCIUZFLHYEPHX-UHFFFAOYSA-N
Compound name
2-(2-cyclopropylbenzimidazol-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.08987 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.09715 149.9
[M+Na]+ 239.07909 164.3
[M+NH4]+ 234.12369 158.2
[M+K]+ 255.05303 161.2
[M-H]- 215.08259 158.4
[M+Na-2H]- 237.06454 158.4
[M]+ 216.08932 155.4
[M]- 216.09042 155.4
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

No patent data available for this compound.