CID 102671

1681-77-2

Structural Information

Molecular Formula
C5H7BrN2O2
SMILES
CC1(CNC(=O)NC1=O)Br
InChI
InChI=1S/C5H7BrN2O2/c1-5(6)2-7-4(10)8-3(5)9/h2H2,1H3,(H2,7,8,9,10)
InChIKey
JAYJINMXBQPKAF-UHFFFAOYSA-N
Compound name
5-bromo-5-methyl-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

205.96909 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.976366 131.5
[M+Na]+ 228.958308 143.0
[M-H]- 204.961814 132.8
[M+NH4]+ 224.002913 152.1
[M+K]+ 244.932248 131.6
[M+H-H2O]+ 188.966350 132.5
[M+HCOO]- 250.967291 146.2
[M+CH3COO]- 264.982941 175.8
[M+Na-2H]- 226.943756 138.9
[M]+ 205.96854142 144.7
[M]- 205.96963858 144.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe