CID 460363

6-[(2s,5s)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-4-methyl-1,1-dioxo-1,2,6-thiadiazin-3-one

Structural Information

Molecular Formula
C8H12N2O5S2
SMILES
CC1=CN(S(=O)(=O)NC1=O)[C@@H]2CS[C@H](O2)CO
InChI
InChI=1S/C8H12N2O5S2/c1-5-2-10(17(13,14)9-8(5)12)6-4-16-7(3-11)15-6/h2,6-7,11H,3-4H2,1H3,(H,9,12)/t6-,7-/m0/s1
InChIKey
KQPHAFHXLURBFA-BQBZGAKWSA-N
Compound name
6-[(2S,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-4-methyl-1,1-dioxo-1,2,6-thiadiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.01877 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.02605 154.4
[M+Na]+ 303.00799 163.3
[M-H]- 279.01149 156.4
[M+NH4]+ 298.05259 169.6
[M+K]+ 318.98193 159.9
[M+H-H2O]+ 263.01603 150.1
[M+HCOO]- 325.01697 160.6
[M+CH3COO]- 339.03262 187.2
[M+Na-2H]- 300.99344 154.0
[M]+ 280.01822 154.9
[M]- 280.01932 154.9
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.