CID 5288724

4-methylthio-alpha-d-mannose

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.0562 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.06348 142.5
[M+Na]+ 233.04542 148.8
[M-H]- 209.04892 141.4
[M+NH4]+ 228.09002 158.1
[M+K]+ 249.01936 146.9
[M+H-H2O]+ 193.05346 137.9
[M+HCOO]- 255.05440 152.1
[M+CH3COO]- 269.07005 175.8
[M+Na-2H]- 231.03087 142.5
[M]+ 210.05565 141.5
[M]- 210.05675 141.5
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

No patent data available for this compound.