CID 54095596

20227-22-9

Structural Information

Molecular Formula
C9H20O6
SMILES
COC[C@H]([C@H]([C@@H]([C@@H](CO)O)OC)OC)O
InChI
InChI=1S/C9H20O6/c1-13-5-7(12)9(15-3)8(14-2)6(11)4-10/h6-12H,4-5H2,1-3H3/t6-,7-,8-,9-/m1/s1
InChIKey
MWWIYUHBCFDGTR-FNCVBFRFSA-N
Compound name
(2R,3R,4R,5R)-3,4,6-trimethoxyhexane-1,2,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.12599 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.13327 150.4
[M+Na]+ 247.11521 155.4
[M+NH4]+ 242.15981 154.1
[M+K]+ 263.08915 155.3
[M-H]- 223.11871 145.2
[M+Na-2H]- 245.10066 148.7
[M]+ 224.12544 148.9
[M]- 224.12654 148.9
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

No patent data available for this compound.