CID 70181750

339094-43-8

Structural Information

Molecular Formula
C7H14O5S
SMILES
CS[C@H]1[C@@H]([C@H]([C@H](O1)[C@@H](CO)O)O)O
InChI
InChI=1S/C7H14O5S/c1-13-7-5(11)4(10)6(12-7)3(9)2-8/h3-11H,2H2,1H3/t3-,4-,5-,6-,7+/m1/s1
InChIKey
OUTOXIQQVPNYPH-GKHCUFPYSA-N
Compound name
(2R,3R,4R,5S)-2-[(1R)-1,2-dihydroxyethyl]-5-methylsulfanyloxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

210.0562 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.06348 144.5
[M+Na]+ 233.04542 150.7
[M+NH4]+ 228.09002 150.2
[M+K]+ 249.01936 149.4
[M-H]- 209.04892 143.2
[M+Na-2H]- 231.03087 142.9
[M]+ 210.05565 144.9
[M]- 210.05675 144.9
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