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: 17
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]+	206.117556	144.7
[M+Na]+	228.099498	151.2
[M-H]-	204.103004	149.6
[M+NH4]+	223.144103	162.2
[M+K]+	244.073438	148.8
[M+H-H2O]+	188.107540	136.9
[M+HCOO]-	250.108481	164.8
[M+CH3COO]-	264.124131	185.1
[M+Na-2H]-	226.084946	149.5
[M]+	205.10973142	142.2
[M]-	205.11082858	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe