CID 13932297

7434-12-0

Structural Information

Molecular Formula
C7H14O5
SMILES
CO[C@H]1[C@@H](CO[C@H]([C@@H]1OC)O)O
InChI
InChI=1S/C7H14O5/c1-10-5-4(8)3-12-7(9)6(5)11-2/h4-9H,3H2,1-2H3/t4-,5+,6-,7-/m1/s1
InChIKey
BAPQKKJFHFYDMJ-XZBKPIIZSA-N
Compound name
(2R,3R,4S,5R)-3,4-dimethoxyoxane-2,5-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.08412 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.09140 135.0
[M+Na]+ 201.07334 141.9
[M-H]- 177.07684 136.7
[M+NH4]+ 196.11794 152.9
[M+K]+ 217.04728 142.9
[M+H-H2O]+ 161.08138 130.1
[M+HCOO]- 223.08232 153.0
[M+CH3COO]- 237.09797 175.2
[M+Na-2H]- 199.05879 139.5
[M]+ 178.08357 135.3
[M]- 178.08467 135.3
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.