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 175.9
[M+Na]+ 369.11559 180.1
[M-H]- 345.11909 175.3
[M+NH4]+ 364.16019 183.7
[M+K]+ 385.08953 179.5
[M+H-H2O]+ 329.12363 168.9
[M+HCOO]- 391.12457 186.0
[M+CH3COO]- 405.14022 201.6
[M+Na-2H]- 367.10104 174.1
[M]+ 346.12582 175.8
[M]- 346.12692 175.8
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.