CID 317221

5-amino-6-phenylpiperidin-2-one

Structural Information

Molecular Formula

C₁₁H₁₄N₂O

SMILES

C1CC(=O)NC(C1N)C2=CC=CC=C2

InChI

InChI=1S/C11H14N2O/c12-9-6-7-10(14)13-11(9)8-4-2-1-3-5-8/h1-5,9,11H,6-7,12H2,(H,13,14)

InChIKey

BKFJIBKJLGSOGY-UHFFFAOYSA-N

Compound name

5-amino-6-phenylpiperidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 190.11061 Da
Monoisotopic Mass: 0.3
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]+	191.11789	142.6
[M+Na]+	213.09983	154.4
[M+NH4]+	208.14443	150.9
[M+K]+	229.07377	148.0
[M-H]-	189.10333	146.3
[M+Na-2H]-	211.08528	149.6
[M]+	190.11006	145.1
[M]-	190.11116	145.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe