CID 2794620

Benzyl 4-hydroxy-1-piperidinecarboxylate

Structural Information

Molecular Formula
C13H17NO3
SMILES
C1CN(CCC1O)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C13H17NO3/c15-12-6-8-14(9-7-12)13(16)17-10-11-4-2-1-3-5-11/h1-5,12,15H,6-10H2
InChIKey
JKIUUDJOCYHIGY-UHFFFAOYSA-N
Compound name
benzyl 4-hydroxypiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1141
Patents

235.12085 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.128126 153.6
[M+Na]+ 258.110068 158.0
[M-H]- 234.113574 156.6
[M+NH4]+ 253.154673 168.8
[M+K]+ 274.084008 155.5
[M+H-H2O]+ 218.118110 145.6
[M+HCOO]- 280.119051 171.0
[M+CH3COO]- 294.134701 186.1
[M+Na-2H]- 256.095516 156.9
[M]+ 235.12030142 149.9
[M]- 235.12139858 149.9
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