CID 237964

6306-81-6

Structural Information

Molecular Formula
C5H7BrN2O2
SMILES
CN1CC(C(=O)NC1=O)Br
InChI
InChI=1S/C5H7BrN2O2/c1-8-2-3(6)4(9)7-5(8)10/h3H,2H2,1H3,(H,7,9,10)
InChIKey
XFSLGQCCNDHVAV-UHFFFAOYSA-N
Compound name
5-bromo-1-methyl-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

3
Patents

205.96909 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.97637 132.0
[M+Na]+ 228.95831 144.0
[M-H]- 204.96181 134.7
[M+NH4]+ 224.00291 151.7
[M+K]+ 244.93225 133.2
[M+H-H2O]+ 188.96635 132.0
[M+HCOO]- 250.96729 148.1
[M+CH3COO]- 264.98294 179.7
[M+Na-2H]- 226.94376 138.1
[M]+ 205.96854 146.9
[M]- 205.96964 146.9
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