CID 4714983

1-benzylpiperidine-4-carboxylic acid

Structural Information

Molecular Formula
C13H17NO2
SMILES
C1CN(CCC1C(=O)O)CC2=CC=CC=C2
InChI
InChI=1S/C13H17NO2/c15-13(16)12-6-8-14(9-7-12)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,16)
InChIKey
ZMVSVQMWFTZSJQ-UHFFFAOYSA-N
Compound name
1-benzylpiperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

376
Patents

219.12593 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 151.0
[M+Na]+ 242.11515 162.8
[M+NH4]+ 237.15975 159.0
[M+K]+ 258.08909 156.3
[M-H]- 218.11865 153.8
[M+Na-2H]- 240.10060 157.6
[M]+ 219.12538 153.3
[M]- 219.12648 153.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe