CID 381328

5-chloro-6-hydroxy-5-methyl-1,3-diazinane-2,4-dione

Structural Information

Molecular Formula
C5H7ClN2O3
SMILES
CC1(C(NC(=O)NC1=O)O)Cl
InChI
InChI=1S/C5H7ClN2O3/c1-5(6)2(9)7-4(11)8-3(5)10/h2,9H,1H3,(H2,7,8,10,11)
InChIKey
VZAFHVGJNOBAMS-UHFFFAOYSA-N
Compound name
5-chloro-6-hydroxy-5-methyl-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.01453 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.02181 132.1
[M+Na]+ 201.00375 141.7
[M-H]- 177.00725 129.4
[M+NH4]+ 196.04835 150.6
[M+K]+ 216.97769 137.4
[M+H-H2O]+ 161.01179 128.3
[M+HCOO]- 223.01273 142.9
[M+CH3COO]- 237.02838 169.6
[M+Na-2H]- 198.98920 136.7
[M]+ 178.01398 127.9
[M]- 178.01508 127.9
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

No patent data available for this compound.