CID 99468

2,5-o-methylene-d-mannitol

Structural Information

Molecular Formula
C7H14O6
SMILES
C1O[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)CO
InChI
InChI=1S/C7H14O6/c8-1-4-6(10)7(11)5(2-9)13-3-12-4/h4-11H,1-3H2/t4-,5-,6-,7-/m1/s1
InChIKey
DBGKIDGPXZLFEC-DBRKOABJSA-N
Compound name
(4R,5S,6S,7R)-4,7-bis(hydroxymethyl)-1,3-dioxepane-5,6-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

26
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 139.2
[M+Na]+ 217.06826 145.6
[M+NH4]+ 212.11286 143.7
[M+K]+ 233.04220 145.9
[M-H]- 193.07176 139.3
[M+Na-2H]- 215.05371 139.2
[M]+ 194.07849 139.7
[M]- 194.07959 139.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.