CID 138400

2h-thiopyran, tetrahydro-, 1,1-dioxide

Structural Information

Molecular Formula
C5H10O2S
SMILES
C1CCS(=O)(=O)CC1
InChI
InChI=1S/C5H10O2S/c6-8(7)4-2-1-3-5-8/h1-5H2
InChIKey
BUGOPWGPQGYYGR-UHFFFAOYSA-N
Compound name
thiane 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7927
Patents

134.04015 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.047426 122.9
[M+Na]+ 157.029368 130.2
[M-H]- 133.032874 126.5
[M+NH4]+ 152.073973 146.9
[M+K]+ 173.003308 129.2
[M+H-H2O]+ 117.037410 118.7
[M+HCOO]- 179.038351 139.9
[M+CH3COO]- 193.054001 166.2
[M+Na-2H]- 155.014816 128.1
[M]+ 134.03960142 121.1
[M]- 134.04069858 121.1
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