CID 64947

Methyl alpha-d-glucopyranoside

Structural Information

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

2D Structure

compound 2d structure
7
Annotation Hits

976
References

47074
Patents

194.07904 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.08632 138.9
[M+Na]+ 217.06826 145.7
[M-H]- 193.07176 138.1
[M+NH4]+ 212.11286 154.8
[M+K]+ 233.04220 145.5
[M+H-H2O]+ 177.07630 134.3
[M+HCOO]- 239.07724 153.9
[M+CH3COO]- 253.09289 174.3
[M+Na-2H]- 215.05371 141.7
[M]+ 194.07849 137.4
[M]- 194.07959 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.