CID 17325507

1158579-15-7

Structural Information

Molecular Formula
C14H17N3O2
SMILES
C1CN(CCC1C(=O)O)CC2=NC3=CC=CC=C3N2
InChI
InChI=1S/C14H17N3O2/c18-14(19)10-5-7-17(8-6-10)9-13-15-11-3-1-2-4-12(11)16-13/h1-4,10H,5-9H2,(H,15,16)(H,18,19)
InChIKey
TWTNYIPWRNJLJV-UHFFFAOYSA-N
Compound name
1-(1H-benzimidazol-2-ylmethyl)piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

259.13208 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.13936 159.3
[M+Na]+ 282.12130 165.9
[M-H]- 258.12480 159.9
[M+NH4]+ 277.16590 173.0
[M+K]+ 298.09524 160.6
[M+H-H2O]+ 242.12934 150.4
[M+HCOO]- 304.13028 173.9
[M+CH3COO]- 318.14593 169.0
[M+Na-2H]- 280.10675 162.1
[M]+ 259.13153 155.2
[M]- 259.13263 155.2
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

patents stripe