CID 8973

3-o-methyl-d-glucose

Structural Information

Molecular Formula
C7H14O6
SMILES
CO[C@H]([C@H](C=O)O)[C@@H]([C@@H](CO)O)O
InChI
InChI=1S/C7H14O6/c1-13-7(5(11)3-9)6(12)4(10)2-8/h3-8,10-12H,2H2,1H3/t4-,5+,6-,7-/m1/s1
InChIKey
RMTFNDVZYPHUEF-XZBKPIIZSA-N
Compound name
(2R,3S,4R,5R)-2,4,5,6-tetrahydroxy-3-methoxyhexanal
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1286
References

20267
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 142.0
[M+Na]+ 217.06826 146.1
[M-H]- 193.07176 136.4
[M+NH4]+ 212.11286 158.1
[M+K]+ 233.04220 146.4
[M+H-H2O]+ 177.07630 137.3
[M+HCOO]- 239.07724 157.0
[M+CH3COO]- 253.09289 175.2
[M+Na-2H]- 215.05371 141.4
[M]+ 194.07849 141.4
[M]- 194.07959 141.4
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