CID 11947944

3-phenylpiperidin-4-one hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₃NO

SMILES

C1CNCC(C1=O)C2=CC=CC=C2

InChI

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

InChIKey

GCSFYHTYULPVGT-UHFFFAOYSA-N

Compound name

3-phenylpiperidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 46
Patents: 175.09972 Da
Monoisotopic Mass: 0.9
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]+	176.10700	139.2
[M+Na]+	198.08894	152.2
[M+NH4]+	193.13354	148.2
[M+K]+	214.06288	144.8
[M-H]-	174.09244	142.8
[M+Na-2H]-	196.07439	147.1
[M]+	175.09917	141.9
[M]-	175.10027	141.9

Literature stripe

literature stripe

Patent stripe

patents stripe