CID 112756485

3,5-dimethyl-1,4-oxathiane-2,6-dione

Structural Information

Molecular Formula
C6H8O3S
SMILES
CC1C(=O)OC(=O)C(S1)C
InChI
InChI=1S/C6H8O3S/c1-3-5(7)9-6(8)4(2)10-3/h3-4H,1-2H3
InChIKey
WEIPNKQYQWXLPB-UHFFFAOYSA-N
Compound name
3,5-dimethyl-1,4-oxathiane-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

160.01941 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.02669 130.8
[M+Na]+ 183.00863 142.2
[M+NH4]+ 178.05323 139.3
[M+K]+ 198.98257 135.6
[M-H]- 159.01213 133.4
[M+Na-2H]- 180.99408 134.0
[M]+ 160.01886 133.5
[M]- 160.01996 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

patents stripe