CID 19960604

3-(benzyloxy)piperidine

Structural Information

Molecular Formula

C₁₂H₁₇NO

SMILES

C1CC(CNC1)OCC2=CC=CC=C2

InChI

InChI=1S/C12H17NO/c1-2-5-11(6-3-1)10-14-12-7-4-8-13-9-12/h1-3,5-6,12-13H,4,7-10H2

InChIKey

VOVVHNIABAJHJZ-UHFFFAOYSA-N

Compound name

3-phenylmethoxypiperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 65
Patents: 191.13101 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	192.13829	143.5
[M+Na]+	214.12023	147.3
[M-H]-	190.12373	146.0
[M+NH4]+	209.16483	160.2
[M+K]+	230.09417	144.0
[M+H-H2O]+	174.12827	135.6
[M+HCOO]-	236.12921	161.6
[M+CH3COO]-	250.14486	179.1
[M+Na-2H]-	212.10568	149.1
[M]+	191.13046	137.5
[M]-	191.13156	137.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe