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]+ 361.149306 179.9
[M+Na]+ 383.131248 185.2
[M-H]- 359.134754 180.8
[M+NH4]+ 378.175853 188.2
[M+K]+ 399.105188 184.7
[M+H-H2O]+ 343.139290 172.5
[M+HCOO]- 405.140231 192.1
[M+CH3COO]- 419.155881 206.9
[M+Na-2H]- 381.116696 178.6
[M]+ 360.14148142 182.9
[M]- 360.14257858 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.