CID 134493

.alpha.-d-glucofuranoside, methyl

Structural Information

Molecular Formula
C7H14O6
SMILES
CO[C@@H]1[C@@H]([C@H]([C@H](O1)[C@@H](CO)O)O)O
InChI
InChI=1S/C7H14O6/c1-12-7-5(11)4(10)6(13-7)3(9)2-8/h3-11H,2H2,1H3/t3-,4-,5-,6-,7+/m1/s1
InChIKey
ZSQBOIUCEISYSW-GKHCUFPYSA-N
Compound name
(2R,3R,4R,5S)-2-[(1R)-1,2-dihydroxyethyl]-5-methoxyoxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

451
References

261
Patents

194.07904 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.08632 139.3
[M+Na]+ 217.06826 145.6
[M-H]- 193.07176 138.3
[M+NH4]+ 212.11286 156.6
[M+K]+ 233.04220 145.6
[M+H-H2O]+ 177.07630 135.1
[M+HCOO]- 239.07724 155.4
[M+CH3COO]- 253.09289 173.4
[M+Na-2H]- 215.05371 140.4
[M]+ 194.07849 138.6
[M]- 194.07959 138.6
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