CID 22764836

1-benzoylpiperidine-2,6-dione

Structural Information

Molecular Formula

C₁₂H₁₁NO₃

SMILES

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

InChI

InChI=1S/C12H11NO3/c14-10-7-4-8-11(15)13(10)12(16)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2

InChIKey

OVXCMDCXMSNGHW-UHFFFAOYSA-N

Compound name

1-benzoylpiperidine-2,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 217.0739 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]+	218.08118	147.1
[M+Na]+	240.06312	159.6
[M+NH4]+	235.10772	154.4
[M+K]+	256.03706	153.7
[M-H]-	216.06662	149.5
[M+Na-2H]-	238.04857	153.7
[M]+	217.07335	149.3
[M]-	217.07445	149.3

Literature stripe

literature stripe

Patent stripe

patents stripe