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

2
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

patents stripe