CID 3279694

3973-63-5

Structural Information

Molecular Formula

C₁₁H₁₃NO

SMILES

C1CC(=O)NCC1C2=CC=CC=C2

InChI

InChI=1S/C11H13NO/c13-11-7-6-10(8-12-11)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,12,13)

InChIKey

KNYJDLYSXYMKTA-UHFFFAOYSA-N

Compound name

5-phenylpiperidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 142
Patents: 175.09972 Da
Monoisotopic Mass: 1.4
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]+	176.106996	137.8
[M+Na]+	198.088938	143.4
[M-H]-	174.092444	141.1
[M+NH4]+	193.133543	155.5
[M+K]+	214.062878	139.8
[M+H-H2O]+	158.096980	130.5
[M+HCOO]-	220.097921	156.5
[M+CH3COO]-	234.113571	176.3
[M+Na-2H]-	196.074386	143.4
[M]+	175.09917142	131.3
[M]-	175.10026858	131.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe