CID 11127376

3-(bromomethyl)-4-methyl-2,5-dihydro-1h-pyrrole-2,5-dione

Structural Information

Molecular Formula
C6H6BrNO2
SMILES
CC1=C(C(=O)NC1=O)CBr
InChI
InChI=1S/C6H6BrNO2/c1-3-4(2-7)6(10)8-5(3)9/h2H2,1H3,(H,8,9,10)
InChIKey
QDOJKQJWLXBRRT-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-4-methylpyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.95819 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.96547 139.5
[M+Na]+ 225.94741 141.1
[M+NH4]+ 220.99201 143.1
[M+K]+ 241.92135 143.5
[M-H]- 201.95091 137.7
[M+Na-2H]- 223.93286 139.8
[M]+ 202.95764 137.7
[M]- 202.95874 137.7
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

No patent data available for this compound.