CID 12136311

3-bromo-1-methyl-2,5-dihydro-1h-pyrrole-2,5-dione

Structural Information

Molecular Formula
C5H4BrNO2
SMILES
CN1C(=O)C=C(C1=O)Br
InChI
InChI=1S/C5H4BrNO2/c1-7-4(8)2-3(6)5(7)9/h2H,1H3
InChIKey
UFUQBRMYERTCQH-UHFFFAOYSA-N
Compound name
3-bromo-1-methylpyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

158
Patents

188.94254 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.94982 126.8
[M+Na]+ 211.93176 141.3
[M-H]- 187.93526 132.8
[M+NH4]+ 206.97636 151.0
[M+K]+ 227.90570 131.4
[M+H-H2O]+ 171.93980 127.6
[M+HCOO]- 233.94074 149.0
[M+CH3COO]- 247.95639 178.9
[M+Na-2H]- 209.91721 133.1
[M]+ 188.94199 146.1
[M]- 188.94309 146.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe