CID 140144

16841-51-3

Structural Information

Molecular Formula
C5H8O2S
SMILES
C1CC=CS(=O)(=O)C1
InChI
InChI=1S/C5H8O2S/c6-8(7)4-2-1-3-5-8/h2,4H,1,3,5H2
InChIKey
SBCZDKSNSQVREF-UHFFFAOYSA-N
Compound name
3,4-dihydro-2H-thiopyran 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

167
Patents

132.0245 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.03178 121.0
[M+Na]+ 155.01372 129.4
[M-H]- 131.01722 125.0
[M+NH4]+ 150.05832 145.2
[M+K]+ 170.98766 128.2
[M+H-H2O]+ 115.02176 116.8
[M+HCOO]- 177.02270 139.5
[M+CH3COO]- 191.03835 165.8
[M+Na-2H]- 152.99917 127.2
[M]+ 132.02395 120.6
[M]- 132.02505 120.6
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