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
1
Annotation Hits

0
References

63
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 130.6
[M+NH4]+ 138.05832 132.5
[M+K]+ 158.98766 124.3
[M-H]- 119.01722 122.4
[M+Na-2H]- 140.99917 126.9
[M]+ 120.02395 123.8
[M]- 120.02505 123.8
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