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]+ 211.063476 142.5
[M+Na]+ 233.045418 148.8
[M-H]- 209.048924 141.4
[M+NH4]+ 228.090023 158.1
[M+K]+ 249.019358 146.9
[M+H-H2O]+ 193.053460 137.9
[M+HCOO]- 255.054401 152.1
[M+CH3COO]- 269.070051 175.8
[M+Na-2H]- 231.030866 142.5
[M]+ 210.05565142 141.5
[M]- 210.05674858 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.