CID 445238

Methyl beta-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-XUUWZHRGSA-N
Compound name
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

976
References

43724
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 138.6
[M+Na]+ 217.06826 147.0
[M+NH4]+ 212.11286 143.9
[M+K]+ 233.04220 145.5
[M-H]- 193.07176 137.8
[M+Na-2H]- 215.05371 138.6
[M]+ 194.07849 139.0
[M]- 194.07959 139.0
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