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
2
Annotation Hits

0
References

13
Patents

120.0245 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.031776 122.0
[M+Na]+ 143.013718 129.7
[M-H]- 119.017224 123.3
[M+NH4]+ 138.058323 145.5
[M+K]+ 158.987658 128.0
[M+H-H2O]+ 103.021760 118.1
[M+HCOO]- 165.022701 138.1
[M+CH3COO]- 179.038351 160.9
[M+Na-2H]- 140.999166 123.6
[M]+ 120.02395142 119.8
[M]- 120.02504858 119.8
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