CID 2841641

1-benzylpiperidine-2-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C13H17NO2
SMILES
C1CCN(C(C1)C(=O)O)CC2=CC=CC=C2
InChI
InChI=1S/C13H17NO2/c15-13(16)12-8-4-5-9-14(12)10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H,15,16)
InChIKey
FEUCBQVXYVZGCM-UHFFFAOYSA-N
Compound name
1-benzylpiperidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

34
Patents

219.12593 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 150.2
[M+Na]+ 242.11515 154.5
[M-H]- 218.11865 153.1
[M+NH4]+ 237.15975 165.9
[M+K]+ 258.08909 151.4
[M+H-H2O]+ 202.12319 142.3
[M+HCOO]- 264.12413 167.3
[M+CH3COO]- 278.13978 185.3
[M+Na-2H]- 240.10060 153.4
[M]+ 219.12538 145.1
[M]- 219.12648 145.1
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