CID 57431540

6-benzylpiperidine-2,4-dione

Structural Information

Molecular Formula

C₁₂H₁₃NO₂

SMILES

C1C(NC(=O)CC1=O)CC2=CC=CC=C2

InChI

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

InChIKey

YLBLDOIOPLQRKF-UHFFFAOYSA-N

Compound name

6-benzylpiperidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 203.09464 Da
Monoisotopic Mass: 1.2
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	144.2
[M+Na]+	226.08386	150.5
[M-H]-	202.08736	147.7
[M+NH4]+	221.12846	160.9
[M+K]+	242.05780	146.6
[M+H-H2O]+	186.09190	136.7
[M+HCOO]-	248.09284	162.9
[M+CH3COO]-	262.10849	181.8
[M+Na-2H]-	224.06931	148.5
[M]+	203.09409	139.1
[M]-	203.09519	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe