CID 21350533

1-(3-methoxyphenyl)piperidin-4-one

Structural Information

Molecular Formula

C₁₂H₁₅NO₂

SMILES

COC1=CC=CC(=C1)N2CCC(=O)CC2

InChI

InChI=1S/C12H15NO2/c1-15-12-4-2-3-10(9-12)13-7-5-11(14)6-8-13/h2-4,9H,5-8H2,1H3

InChIKey

FULBKNNHKLHNFY-UHFFFAOYSA-N

Compound name

1-(3-methoxyphenyl)piperidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 205.11028 Da
Monoisotopic Mass: 1.5
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	145.9
[M+Na]+	228.09950	159.2
[M+NH4]+	223.14410	154.5
[M+K]+	244.07344	152.0
[M-H]-	204.10300	149.5
[M+Na-2H]-	226.08495	153.5
[M]+	205.10973	148.7
[M]-	205.11083	148.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe