CID 10036019

155-30-6

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

68
References

149
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 143.0
[M+Na]+ 233.04542 151.1
[M+NH4]+ 228.09002 149.1
[M+K]+ 249.01936 147.1
[M-H]- 209.04892 142.8
[M+Na-2H]- 231.03087 142.7
[M]+ 210.05565 144.1
[M]- 210.05675 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

literature stripe

Patent stripe

patents stripe