CID 44269524

6-o-methyl-alpha-d-galactopyranose

Structural Information

Molecular Formula
C7H14O6
SMILES
COC[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O
InChI
InChI=1S/C7H14O6/c1-12-2-3-4(8)5(9)6(10)7(11)13-3/h3-11H,2H2,1H3/t3-,4+,5+,6-,7+/m1/s1
InChIKey
QWJKEQVWXSYDJA-PZRMXXKTSA-N
Compound name
(2S,3R,4S,5R,6R)-6-(methoxymethyl)oxane-2,3,4,5-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

194.07904 Da
Monoisotopic Mass

-2.6
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