CID 21855952

69636-52-8

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	128.7
[M+Na]+	213.94741	141.8
[M-H]-	189.95091	133.0
[M+NH4]+	208.99201	153.7
[M+K]+	229.92135	131.3
[M+H-H2O]+	173.95545	130.5
[M+HCOO]-	235.95639	148.2
[M+CH3COO]-	249.97204	175.2
[M+Na-2H]-	211.93286	135.4
[M]+	190.95764	145.0
[M]-	190.95874	145.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe