CID 107508

Ethyl 1-thio-alpha-d-glucofuranoside

Structural Information

Molecular Formula
C8H16O5S
SMILES
CCS[C@@H]1[C@@H]([C@H]([C@H](O1)[C@@H](CO)O)O)O
InChI
InChI=1S/C8H16O5S/c1-2-14-8-6(12)5(11)7(13-8)4(10)3-9/h4-12H,2-3H2,1H3/t4-,5-,6-,7-,8-/m1/s1
InChIKey
AEVJVTKPYCQIIQ-FMDGEEDCSA-N
Compound name
(2R,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-ethylsulfanyloxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

224.07184 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.079116 148.4
[M+Na]+ 247.061058 154.2
[M-H]- 223.064564 147.2
[M+NH4]+ 242.105663 165.1
[M+K]+ 263.034998 152.5
[M+H-H2O]+ 207.069100 144.2
[M+HCOO]- 269.070041 158.8
[M+CH3COO]- 283.085691 177.9
[M+Na-2H]- 245.046506 146.2
[M]+ 224.07129142 148.8
[M]- 224.07238858 148.8
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