CID 381328

5-chloro-6-hydroxy-5,6-dihydrothymine

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 132.7
[M+Na]+ 201.00375 143.3
[M+NH4]+ 196.04835 140.0
[M+K]+ 216.97769 137.7
[M-H]- 177.00725 130.5
[M+Na-2H]- 198.98920 136.5
[M]+ 178.01398 133.5
[M]- 178.01508 133.5
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.