CID 244757

5750-82-3

Structural Information

Molecular Formula
C6H7BrN2O3
SMILES
CCC1(C(=O)NC(=O)NC1=O)Br
InChI
InChI=1S/C6H7BrN2O3/c1-2-6(7)3(10)8-5(12)9-4(6)11/h2H2,1H3,(H2,8,9,10,11,12)
InChIKey
LZAPUUNDQAWAKL-UHFFFAOYSA-N
Compound name
5-bromo-5-ethyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

233.964 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.971276 135.6
[M+Na]+ 256.953218 147.7
[M-H]- 232.956724 137.1
[M+NH4]+ 251.997823 155.3
[M+K]+ 272.927158 136.0
[M+H-H2O]+ 216.961260 136.6
[M+HCOO]- 278.962201 150.4
[M+CH3COO]- 292.977851 181.0
[M+Na-2H]- 254.938666 142.1
[M]+ 233.96345142 150.3
[M]- 233.96454858 150.3
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