CID 128889

13403-14-0

Structural Information

Molecular Formula
C7H14O6
SMILES
CO[C@]1([C@H]([C@@H]([C@H](O1)CO)O)O)CO
InChI
InChI=1S/C7H14O6/c1-12-7(3-9)6(11)5(10)4(2-8)13-7/h4-6,8-11H,2-3H2,1H3/t4-,5-,6+,7-/m1/s1
InChIKey
JPHVNZOOBXUCDJ-MVIOUDGNSA-N
Compound name
(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-methoxyoxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

86
Patents

194.07904 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.08632 138.2
[M+Na]+ 217.06826 145.2
[M+NH4]+ 212.11286 144.7
[M+K]+ 233.04220 144.0
[M-H]- 193.07176 136.5
[M+Na-2H]- 215.05371 139.2
[M]+ 194.07849 138.3
[M]- 194.07959 138.3
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