CID 13610001

1-benzyl-4-hydroxypiperidin-2-one

Structural Information

Molecular Formula

C₁₂H₁₅NO₂

SMILES

C1CN(C(=O)CC1O)CC2=CC=CC=C2

InChI

InChI=1S/C12H15NO2/c14-11-6-7-13(12(15)8-11)9-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2

InChIKey

MSOZDGCODQNTAR-UHFFFAOYSA-N

Compound name

1-benzyl-4-hydroxypiperidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 205.11028 Da
Monoisotopic Mass: 0.6
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]+	206.11756	145.4
[M+Na]+	228.09950	151.4
[M-H]-	204.10300	148.9
[M+NH4]+	223.14410	162.1
[M+K]+	244.07344	148.1
[M+H-H2O]+	188.10754	137.9
[M+HCOO]-	250.10848	163.9
[M+CH3COO]-	264.12413	182.6
[M+Na-2H]-	226.08495	149.7
[M]+	205.10973	141.0
[M]-	205.11083	141.0

Literature stripe

literature stripe

Patent stripe

patents stripe