CID 12436232

Benzyl piperidine-2-carboxylate hydrochloride

Structural Information

Molecular Formula
C13H17NO2
SMILES
C1CCNC(C1)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C13H17NO2/c15-13(12-8-4-5-9-14-12)16-10-11-6-2-1-3-7-11/h1-3,6-7,12,14H,4-5,8-10H2
InChIKey
RSEPHCRIRACQML-UHFFFAOYSA-N
Compound name
benzyl piperidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

219.12593 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 150.6
[M+Na]+ 242.11515 154.0
[M-H]- 218.11865 153.1
[M+NH4]+ 237.15975 166.0
[M+K]+ 258.08909 150.9
[M+H-H2O]+ 202.12319 142.5
[M+HCOO]- 264.12413 167.8
[M+CH3COO]- 278.13978 183.5
[M+Na-2H]- 240.10060 154.5
[M]+ 219.12538 145.0
[M]- 219.12648 145.0
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