CID 19376485

Thiolanediol

Structural Information

Molecular Formula
C4H8O2S
SMILES
C1CC(SC1)(O)O
InChI
InChI=1S/C4H8O2S/c5-4(6)2-1-3-7-4/h5-6H,1-3H2
InChIKey
FZOMICSQEDGSHH-UHFFFAOYSA-N
Compound name
thiolane-2,2-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

230
Patents

120.0245 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.03178 122.1
[M+Na]+ 143.01372 129.7
[M-H]- 119.01722 123.2
[M+NH4]+ 138.05832 147.3
[M+K]+ 158.98766 128.2
[M+H-H2O]+ 103.02176 118.9
[M+HCOO]- 165.02270 138.2
[M+CH3COO]- 179.03835 159.3
[M+Na-2H]- 140.99917 125.7
[M]+ 120.02395 119.9
[M]- 120.02505 119.9
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