CID 45791255

4-hydroxytetrahydro-2h-thiopyran 1,1-dioxide

Structural Information

Molecular Formula
C5H10O3S
SMILES
C1CS(=O)(=O)CCC1O
InChI
InChI=1S/C5H10O3S/c6-5-1-3-9(7,8)4-2-5/h5-6H,1-4H2
InChIKey
JABSMKPYEZTJTE-UHFFFAOYSA-N
Compound name
1,1-dioxothian-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

353
Patents

150.03506 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.042336 125.8
[M+Na]+ 173.024278 133.5
[M-H]- 149.027784 128.2
[M+NH4]+ 168.068883 148.7
[M+K]+ 188.998218 132.0
[M+H-H2O]+ 133.032320 122.1
[M+HCOO]- 195.033261 141.5
[M+CH3COO]- 209.048911 166.7
[M+Na-2H]- 171.009726 130.2
[M]+ 150.03451142 124.1
[M]- 150.03560858 124.1
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