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
(3R,4S)-thiolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

16
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 122.0
[M+Na]+ 143.01372 129.7
[M-H]- 119.01722 123.3
[M+NH4]+ 138.05832 145.5
[M+K]+ 158.98766 128.0
[M+H-H2O]+ 103.02176 118.1
[M+HCOO]- 165.02270 138.1
[M+CH3COO]- 179.03835 160.9
[M+Na-2H]- 140.99917 123.6
[M]+ 120.02395 119.8
[M]- 120.02505 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