CID 18390978

2,3-di-o-methyl-d-glucose

Structural Information

Molecular Formula
C8H16O6
SMILES
CO[C@@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O)OC
InChI
InChI=1S/C8H16O6/c1-13-6(4-10)8(14-2)7(12)5(11)3-9/h4-9,11-12H,3H2,1-2H3/t5-,6+,7-,8-/m1/s1
InChIKey
CPALRJNELRTQTO-ULAWRXDQSA-N
Compound name
(2R,3S,4R,5R)-4,5,6-trihydroxy-2,3-dimethoxyhexanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

109
Patents

208.09468 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.101956 145.9
[M+Na]+ 231.083898 150.0
[M-H]- 207.087404 141.6
[M+NH4]+ 226.128503 162.1
[M+K]+ 247.057838 150.9
[M+H-H2O]+ 191.091940 140.8
[M+HCOO]- 253.092881 162.1
[M+CH3COO]- 267.108531 180.5
[M+Na-2H]- 229.069346 145.3
[M]+ 208.09413142 147.5
[M]- 208.09522858 147.5
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

patents stripe