CID 13932301

Glc2me

Structural Information

Molecular Formula
C7H14O6
SMILES
CO[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)O
InChI
InChI=1S/C7H14O6/c1-12-6-5(10)4(9)3(2-8)13-7(6)11/h3-11H,2H2,1H3/t3-,4-,5+,6-,7?/m1/s1
InChIKey
UMPNFVHHMOSNAC-WLDMJGECSA-N
Compound name
(3R,4S,5S,6R)-6-(hydroxymethyl)-3-methoxyoxane-2,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

303
Patents

194.07904 Da
Monoisotopic Mass

-2.1
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

literature stripe

Patent stripe

patents stripe