CID 316451

1195-74-0

Structural Information

Molecular Formula
C5H7BrN2O3
SMILES
CC1(C(NC(=O)NC1=O)O)Br
InChI
InChI=1S/C5H7BrN2O3/c1-5(6)2(9)7-4(11)8-3(5)10/h2,9H,1H3,(H2,7,8,10,11)
InChIKey
ZHSRDOVCKJIGBL-UHFFFAOYSA-N
Compound name
5-bromo-6-hydroxy-5-methyl-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.964 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.97128 134.4
[M+Na]+ 244.95322 146.1
[M-H]- 220.95672 134.6
[M+NH4]+ 239.99782 153.9
[M+K]+ 260.92716 134.3
[M+H-H2O]+ 204.96126 135.5
[M+HCOO]- 266.96220 147.8
[M+CH3COO]- 280.97785 176.8
[M+Na-2H]- 242.93867 140.7
[M]+ 221.96345 147.5
[M]- 221.96455 147.5
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

No patent data available for this compound.