CID 28752852

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

Structural Information

Molecular Formula
C13H14N2O2
SMILES
C1CC1C2=NC3=CC=CC=C3N2CCC(=O)O
InChI
InChI=1S/C13H14N2O2/c16-12(17)7-8-15-11-4-2-1-3-10(11)14-13(15)9-5-6-9/h1-4,9H,5-8H2,(H,16,17)
InChIKey
BTMHLWQENPVQMQ-UHFFFAOYSA-N
Compound name
3-(2-cyclopropylbenzimidazol-1-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.10553 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.11281 153.8
[M+Na]+ 253.09475 168.0
[M+NH4]+ 248.13935 162.0
[M+K]+ 269.06869 164.7
[M-H]- 229.09825 162.3
[M+Na-2H]- 251.08020 162.1
[M]+ 230.10498 159.2
[M]- 230.10608 159.2
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.