CID 15869436

Cis-thiolanediol

Structural Information

Molecular Formula
C4H8O2S
SMILES
C1[C@H]([C@H](CS1)O)O
InChI
InChI=1S/C4H8O2S/c5-3-1-7-2-4(3)6/h3-6H,1-2H2/t3-,4+
InChIKey
WONPWMKTZAPWSP-ZXZARUISSA-N
Compound name
(3S,4R)-thiolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

120.0245 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.03178 121.8
[M+Na]+ 143.01372 130.5
[M+NH4]+ 138.05832 130.8
[M+K]+ 158.98766 126.0
[M-H]- 119.01722 122.2
[M+Na-2H]- 140.99917 124.7
[M]+ 120.02395 123.3
[M]- 120.02505 123.3
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