CID 96437

1-phenethyl-4-piperidone

Structural Information

Molecular Formula

C₁₃H₁₇NO

SMILES

C1CN(CCC1=O)CCC2=CC=CC=C2

InChI

InChI=1S/C13H17NO/c15-13-7-10-14(11-8-13)9-6-12-4-2-1-3-5-12/h1-5H,6-11H2

InChIKey

YDJXNYNKKXZBMP-UHFFFAOYSA-N

Compound name

1-(2-phenylethyl)piperidin-4-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 5
References: 466
Patents: 203.13101 Da
Monoisotopic Mass: 1.7
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]+	204.13829	147.7
[M+Na]+	226.12023	160.9
[M+NH4]+	221.16483	156.7
[M+K]+	242.09417	152.7
[M-H]-	202.12373	151.8
[M+Na-2H]-	224.10568	155.8
[M]+	203.13046	150.7
[M]-	203.13156	150.7

Literature stripe

literature stripe

Patent stripe

patents stripe