CID 13857550

1-benzylpiperidine-2,3-dione

Structural Information

Molecular Formula

C₁₂H₁₃NO₂

SMILES

C1CC(=O)C(=O)N(C1)CC2=CC=CC=C2

InChI

InChI=1S/C12H13NO2/c14-11-7-4-8-13(12(11)15)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2

InChIKey

YXCASZOHZLUBIF-UHFFFAOYSA-N

Compound name

1-benzylpiperidine-2,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 203.09464 Da
Monoisotopic Mass: 1.1
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]+	204.10192	145.1
[M+Na]+	226.08386	158.4
[M+NH4]+	221.12846	153.4
[M+K]+	242.05780	151.2
[M-H]-	202.08736	148.5
[M+Na-2H]-	224.06931	152.6
[M]+	203.09409	147.8
[M]-	203.09519	147.8

Literature stripe

literature stripe

Patent stripe

patents stripe