CID 68518940

1-(benzyloxy)piperidin-4-one

Structural Information

Molecular Formula

C₁₂H₁₅NO₂

SMILES

C1CN(CCC1=O)OCC2=CC=CC=C2

InChI

InChI=1S/C12H15NO2/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-5H,6-10H2

InChIKey

KLWBXZBDHNRVLZ-UHFFFAOYSA-N

Compound name

1-phenylmethoxypiperidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 205.11028 Da
Monoisotopic Mass: 1.3
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]+	206.11756	146.3
[M+Na]+	228.09950	159.2
[M+NH4]+	223.14410	154.9
[M+K]+	244.07344	151.9
[M-H]-	204.10300	149.9
[M+Na-2H]-	226.08495	154.2
[M]+	205.10973	149.1
[M]-	205.11083	149.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe