CID 21855952

3-bromo-3-methyl-pyrrolidine-2,5-dione

Structural Information

Molecular Formula

C₅H₆BrNO₂

SMILES

CC1(CC(=O)NC1=O)Br

InChI

InChI=1S/C5H6BrNO2/c1-5(6)2-3(8)7-4(5)9/h2H2,1H3,(H,7,8,9)

InChIKey

MQZHFIWYQMVPOB-UHFFFAOYSA-N

Compound name

3-bromo-3-methylpyrrolidine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 190.95819 Da
Monoisotopic Mass: 0.0
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	137.7
[M+Na]+	213.94741	138.5
[M+NH4]+	208.99201	142.6
[M+K]+	229.92135	139.6
[M-H]-	189.95091	135.7
[M+Na-2H]-	211.93286	139.0
[M]+	190.95764	135.9
[M]-	190.95874	135.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe