CID 12570775

3-bromopiperidine-2,6-dione

Structural Information

Molecular Formula

C₅H₆BrNO₂

SMILES

C1CC(=O)NC(=O)C1Br

InChI

InChI=1S/C5H6BrNO2/c6-3-1-2-4(8)7-5(3)9/h3H,1-2H2,(H,7,8,9)

InChIKey

RYSICGXZRVMXDP-UHFFFAOYSA-N

Compound name

3-bromopiperidine-2,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 941
Patents: 190.95819 Da
Monoisotopic Mass: 0.2
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]+	191.96547	129.2
[M+Na]+	213.94741	140.3
[M-H]-	189.95091	132.8
[M+NH4]+	208.99201	150.4
[M+K]+	229.92135	129.6
[M+H-H2O]+	173.95545	129.7
[M+HCOO]-	235.95639	146.5
[M+CH3COO]-	249.97204	175.9
[M+Na-2H]-	211.93286	135.8
[M]+	190.95764	143.1
[M]-	190.95874	143.1

Literature stripe

literature stripe

Patent stripe

patents stripe