CID 134493

1824-88-0

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

3
References

254
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 139.5
[M+Na]+ 217.06826 145.9
[M+NH4]+ 212.11286 144.3
[M+K]+ 233.04220 147.2
[M-H]- 193.07176 137.5
[M+Na-2H]- 215.05371 138.3
[M]+ 194.07849 139.2
[M]- 194.07959 139.2
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