CID 146628542

3-(3-bromo-2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl)piperidine-2,6-dione

Structural Information

Molecular Formula
C9H7BrN2O4
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C=C(C2=O)Br
InChI
InChI=1S/C9H7BrN2O4/c10-4-3-7(14)12(9(4)16)5-1-2-6(13)11-8(5)15/h3,5H,1-2H2,(H,11,13,15)
InChIKey
YWTWRPUQGHMUBN-UHFFFAOYSA-N
Compound name
3-(3-bromo-2,5-dioxopyrrol-1-yl)piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

285.95892 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.96620 150.5
[M+Na]+ 308.94814 162.7
[M-H]- 284.95164 156.3
[M+NH4]+ 303.99274 168.5
[M+K]+ 324.92208 151.2
[M+H-H2O]+ 268.95618 150.0
[M+HCOO]- 330.95712 166.7
[M+CH3COO]- 344.97277 192.2
[M+Na-2H]- 306.93359 152.3
[M]+ 285.95837 165.7
[M]- 285.95947 165.7
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

patents stripe