CID 11959580

1-(4-methoxybenzyl)piperidin-4-one

Structural Information

Molecular Formula

C₁₃H₁₇NO₂

SMILES

COC1=CC=C(C=C1)CN2CCC(=O)CC2

InChI

InChI=1S/C13H17NO2/c1-16-13-4-2-11(3-5-13)10-14-8-6-12(15)7-9-14/h2-5H,6-10H2,1H3

InChIKey

ALUMNZBTDKQKNP-UHFFFAOYSA-N

Compound name

1-[(4-methoxyphenyl)methyl]piperidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 91
Patents: 219.12593 Da
Monoisotopic Mass: 1.2
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]+	220.13321	150.4
[M+Na]+	242.11515	163.4
[M+NH4]+	237.15975	158.8
[M+K]+	258.08909	156.1
[M-H]-	218.11865	154.0
[M+Na-2H]-	240.10060	157.8
[M]+	219.12538	153.2
[M]-	219.12648	153.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe