CID 212772

24866-79-3

Structural Information

Molecular Formula

C₁₂H₁₂ClNO₂

SMILES

C1CC(=O)NC(=O)C1CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H12ClNO2/c13-10-4-1-8(2-5-10)7-9-3-6-11(15)14-12(9)16/h1-2,4-5,9H,3,6-7H2,(H,14,15,16)

InChIKey

PNPLYIUMWFHECA-UHFFFAOYSA-N

Compound name

3-[(4-chlorophenyl)methyl]piperidine-2,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 237.05565 Da
Monoisotopic Mass: 1.9
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]+	238.06293	150.2
[M+Na]+	260.04487	158.3
[M-H]-	236.04837	153.9
[M+NH4]+	255.08947	166.7
[M+K]+	276.01881	152.6
[M+H-H2O]+	220.05291	143.7
[M+HCOO]-	282.05385	164.3
[M+CH3COO]-	296.06950	186.7
[M+Na-2H]-	258.03032	153.3
[M]+	237.05510	147.7
[M]-	237.05620	147.7

Literature stripe

literature stripe

Patent stripe

patents stripe