CID 85250379

1-(3,4-dimethoxyphenyl)-1,2-ethanediol 2-o-b-d-glucoside

Structural Information

Molecular Formula
C16H24O9
SMILES
COC1=C(C=C(C=C1)C(COC2C(C(C(C(O2)CO)O)O)O)O)OC
InChI
InChI=1S/C16H24O9/c1-22-10-4-3-8(5-11(10)23-2)9(18)7-24-16-15(21)14(20)13(19)12(6-17)25-16/h3-5,9,12-21H,6-7H2,1-2H3
InChIKey
PWFYKSAKCMTDRH-UHFFFAOYSA-N
Compound name
2-[2-(3,4-dimethoxyphenyl)-2-hydroxyethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.14203 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.14931 179.7
[M+Na]+ 383.13125 183.9
[M-H]- 359.13475 180.3
[M+NH4]+ 378.17585 187.6
[M+K]+ 399.10519 183.9
[M+H-H2O]+ 343.13929 172.3
[M+HCOO]- 405.14023 191.0
[M+CH3COO]- 419.15588 206.4
[M+Na-2H]- 381.11670 177.9
[M]+ 360.14148 181.7
[M]- 360.14258 181.7
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.