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]+ 203.965466 132.9
[M+Na]+ 225.947408 146.5
[M-H]- 201.950914 137.4
[M+NH4]+ 220.992013 155.9
[M+K]+ 241.921348 135.4
[M+H-H2O]+ 185.955450 133.6
[M+HCOO]- 247.956391 153.3
[M+CH3COO]- 261.972041 179.2
[M+Na-2H]- 223.932856 138.0
[M]+ 202.95764142 150.7
[M]- 202.95873858 150.7
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.