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]+ 211.063476 144.0
[M+Na]+ 233.045418 150.2
[M-H]- 209.048924 143.0
[M+NH4]+ 228.090023 161.2
[M+K]+ 249.019358 148.7
[M+H-H2O]+ 193.053460 140.0
[M+HCOO]- 255.054401 154.7
[M+CH3COO]- 269.070051 174.9
[M+Na-2H]- 231.030866 142.3
[M]+ 210.05565142 144.1
[M]- 210.05674858 144.1
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