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

1
Patents

216.08987 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.097146 149.9
[M+Na]+ 239.079088 161.6
[M-H]- 215.082594 154.9
[M+NH4]+ 234.123693 163.3
[M+K]+ 255.053028 156.1
[M+H-H2O]+ 199.087130 142.6
[M+HCOO]- 261.088071 171.3
[M+CH3COO]- 275.103721 162.4
[M+Na-2H]- 237.064536 154.8
[M]+ 216.08932142 154.1
[M]- 216.09041858 154.1
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