CID 90583

N-benzoyl-4-piperidone

Structural Information

Molecular Formula

C₁₂H₁₃NO₂

SMILES

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

InChI

InChI=1S/C12H13NO2/c14-11-6-8-13(9-7-11)12(15)10-4-2-1-3-5-10/h1-5H,6-9H2

InChIKey

NZAXGZYPZGEVBD-UHFFFAOYSA-N

Compound name

1-benzoylpiperidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 582
Patents: 203.09464 Da
Monoisotopic Mass: 0.8
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]+	204.10192	144.0
[M+Na]+	226.08386	149.6
[M-H]-	202.08736	148.6
[M+NH4]+	221.12846	161.1
[M+K]+	242.05780	147.1
[M+H-H2O]+	186.09190	136.2
[M+HCOO]-	248.09284	163.3
[M+CH3COO]-	262.10849	183.4
[M+Na-2H]-	224.06931	148.3
[M]+	203.09409	139.7
[M]-	203.09519	139.7

Literature stripe

literature stripe

Patent stripe

patents stripe