CID 83246

13224-94-7

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

10
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]+ 195.086316 138.9
[M+Na]+ 217.068258 145.7
[M-H]- 193.071764 138.1
[M+NH4]+ 212.112863 154.8
[M+K]+ 233.042198 145.5
[M+H-H2O]+ 177.076300 134.3
[M+HCOO]- 239.077241 153.9
[M+CH3COO]- 253.092891 174.3
[M+Na-2H]- 215.053706 141.7
[M]+ 194.07849142 137.4
[M]- 194.07958858 137.4
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