CID 85207142

1-(3-hydroxy-4-methoxyphenyl)-1,2-ethanediol 3'-o-b-d-glucoside

Structural Information

Molecular Formula
C15H22O9
SMILES
COC1=C(C=C(C=C1)C(CO)O)OC2C(C(C(C(O2)CO)O)O)O
InChI
InChI=1S/C15H22O9/c1-22-9-3-2-7(8(18)5-16)4-10(9)23-15-14(21)13(20)12(19)11(6-17)24-15/h2-4,8,11-21H,5-6H2,1H3
InChIKey
CEAVUNYMFVXZKB-UHFFFAOYSA-N
Compound name
2-[5-(1,2-dihydroxyethyl)-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.12637 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.13365 177.2
[M+Na]+ 369.11559 184.6
[M+NH4]+ 364.16019 179.8
[M+K]+ 385.08953 184.4
[M-H]- 345.11909 176.4
[M+Na-2H]- 367.10104 176.1
[M]+ 346.12582 177.4
[M]- 346.12692 177.4
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

No patent data available for this compound.