CID 151009

6-o-methylglucose

Structural Information

Molecular Formula
C7H14O6
SMILES
COC[C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O
InChI
InChI=1S/C7H14O6/c1-13-3-5(10)7(12)6(11)4(9)2-8/h2,4-7,9-12H,3H2,1H3/t4-,5+,6+,7+/m0/s1
InChIKey
GFHNQKKLOLZRQE-BDVNFPICSA-N
Compound name
(2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-methoxyhexanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

333
Patents

194.07904 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.08632 141.6
[M+Na]+ 217.06826 146.5
[M+NH4]+ 212.11286 145.0
[M+K]+ 233.04220 147.0
[M-H]- 193.07176 135.7
[M+Na-2H]- 215.05371 139.6
[M]+ 194.07849 139.8
[M]- 194.07959 139.8
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