CID 56028

Brn 0522771

Structural Information

Molecular Formula
C8H9BrN2O3
SMILES
CC1(C(=O)NC(=O)NC1=O)CC(=C)Br
InChI
InChI=1S/C8H9BrN2O3/c1-4(9)3-8(2)5(12)10-7(14)11-6(8)13/h1,3H2,2H3,(H2,10,11,12,13,14)
InChIKey
ZWUXEQTWYAKGIA-UHFFFAOYSA-N
Compound name
5-(2-bromoprop-2-enyl)-5-methyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.97964 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.98692 142.7
[M+Na]+ 282.96886 153.9
[M-H]- 258.97236 143.9
[M+NH4]+ 278.01346 161.2
[M+K]+ 298.94280 141.7
[M+H-H2O]+ 242.97690 143.5
[M+HCOO]- 304.97784 156.1
[M+CH3COO]- 318.99349 186.8
[M+Na-2H]- 280.95431 147.1
[M]+ 259.97909 156.7
[M]- 259.98019 156.7
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.