CID 3069785

85145-39-7

Structural Information

Molecular Formula
C15H19N3O2
SMILES
C1CCN(CC1)C2=NC3=CC=CC=C3N2CCC(=O)O
InChI
InChI=1S/C15H19N3O2/c19-14(20)8-11-18-13-7-3-2-6-12(13)16-15(18)17-9-4-1-5-10-17/h2-3,6-7H,1,4-5,8-11H2,(H,19,20)
InChIKey
MBCKIXHJMUKRFG-UHFFFAOYSA-N
Compound name
3-(2-piperidin-1-ylbenzimidazol-1-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.14774 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.155016 163.5
[M+Na]+ 296.136958 170.1
[M-H]- 272.140464 165.3
[M+NH4]+ 291.181563 177.4
[M+K]+ 312.110898 165.4
[M+H-H2O]+ 256.145000 154.0
[M+HCOO]- 318.145941 179.3
[M+CH3COO]- 332.161591 173.4
[M+Na-2H]- 294.122406 166.1
[M]+ 273.14719142 161.6
[M]- 273.14828858 161.6
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.