CID 13567415

Tetrahydro-2h-thiopyran-3-ol 1,1-dioxide

Structural Information

Molecular Formula
C5H10O3S
SMILES
C1CC(CS(=O)(=O)C1)O
InChI
InChI=1S/C5H10O3S/c6-5-2-1-3-9(7,8)4-5/h5-6H,1-4H2
InChIKey
FOAYCGLGUDLVFQ-UHFFFAOYSA-N
Compound name
1,1-dioxothian-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

150.03506 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.04234 125.8
[M+Na]+ 173.02428 133.5
[M-H]- 149.02778 128.2
[M+NH4]+ 168.06888 148.7
[M+K]+ 188.99822 132.0
[M+H-H2O]+ 133.03232 122.1
[M+HCOO]- 195.03326 141.5
[M+CH3COO]- 209.04891 166.7
[M+Na-2H]- 171.00973 130.2
[M]+ 150.03451 124.1
[M]- 150.03561 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

No literature data available for this compound.

Patent stripe

patents stripe