CID 85242014

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

Structural Information

Molecular Formula
C16H24O9
SMILES
COC1=C(C=C(C=C1)C(CO)OC2C(C(C(C(O2)CO)O)O)O)OC
InChI
InChI=1S/C16H24O9/c1-22-9-4-3-8(5-10(9)23-2)11(6-17)24-16-15(21)14(20)13(19)12(7-18)25-16/h3-5,11-21H,6-7H2,1-2H3
InChIKey
SXOCFAICCRYBCD-UHFFFAOYSA-N
Compound name
2-[1-(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]+ 361.149306 179.7
[M+Na]+ 383.131248 183.9
[M-H]- 359.134754 180.3
[M+NH4]+ 378.175853 187.6
[M+K]+ 399.105188 183.9
[M+H-H2O]+ 343.139290 172.3
[M+HCOO]- 405.140231 191.0
[M+CH3COO]- 419.155881 206.4
[M+Na-2H]- 381.116696 177.9
[M]+ 360.14148142 181.7
[M]- 360.14257858 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.