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
2
Annotation Hits

0
References

46
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

No literature data available for this compound.

Patent stripe

patents stripe