CID 137871

1,4-oxathiane-2,6-dione

Structural Information

Molecular Formula
C4H4O3S
SMILES
C1C(=O)OC(=O)CS1
InChI
InChI=1S/C4H4O3S/c5-3-1-8-2-4(6)7-3/h1-2H2
InChIKey
RIIUAPMWDSRBSH-UHFFFAOYSA-N
Compound name
1,4-oxathiane-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

313
Patents

131.98811 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.99539 119.8
[M+Na]+ 154.97733 127.8
[M-H]- 130.98083 124.4
[M+NH4]+ 150.02193 140.9
[M+K]+ 170.95127 128.1
[M+H-H2O]+ 114.98537 115.1
[M+HCOO]- 176.98631 136.7
[M+CH3COO]- 191.00196 166.6
[M+Na-2H]- 152.96278 124.8
[M]+ 131.98756 119.7
[M]- 131.98866 119.7
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