CID 50938598

3-amino-1-phenylpiperidin-2-one

Structural Information

Molecular Formula

C₁₁H₁₄N₂O

SMILES

C1CC(C(=O)N(C1)C2=CC=CC=C2)N

InChI

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

InChIKey

XYZGJLDFMCEELX-UHFFFAOYSA-N

Compound name

3-amino-1-phenylpiperidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 190.11061 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]+	191.11789	142.3
[M+Na]+	213.09983	154.7
[M+NH4]+	208.14443	151.0
[M+K]+	229.07377	147.9
[M-H]-	189.10333	146.5
[M+Na-2H]-	211.08528	149.9
[M]+	190.11006	145.1
[M]-	190.11116	145.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe