CID 85346190

2-(4-hydroxy-3,5-dimethoxyphenyl)ethanol 4'-glucoside

Structural Information

Molecular Formula
C16H24O9
SMILES
COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)CCO
InChI
InChI=1S/C16H24O9/c1-22-9-5-8(3-4-17)6-10(23-2)15(9)25-16-14(21)13(20)12(19)11(7-18)24-16/h5-6,11-14,16-21H,3-4,7H2,1-2H3
InChIKey
PSZXKZGDJMPMIO-UHFFFAOYSA-N
Compound name
2-[4-(2-hydroxyethyl)-2,6-dimethoxyphenoxy]-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

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.14931 179.9
[M+Na]+ 383.13125 185.2
[M-H]- 359.13475 180.8
[M+NH4]+ 378.17585 188.2
[M+K]+ 399.10519 184.7
[M+H-H2O]+ 343.13929 172.5
[M+HCOO]- 405.14023 192.1
[M+CH3COO]- 419.15588 206.9
[M+Na-2H]- 381.11670 178.6
[M]+ 360.14148 182.9
[M]- 360.14258 182.9
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.