CID 75586327

2-(3-hydroxyphenyl)ethanol 1'-glucoside

Structural Information

Molecular Formula
C14H20O7
SMILES
C1=CC(=CC(=C1)O)CCOC2C(C(C(C(O2)CO)O)O)O
InChI
InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-5-4-8-2-1-3-9(16)6-8/h1-3,6,10-19H,4-5,7H2
InChIKey
DIGNKQFJIIKEBA-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-6-[2-(3-hydroxyphenyl)ethoxy]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.1209 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.128176 166.7
[M+Na]+ 323.110118 171.8
[M-H]- 299.113624 167.4
[M+NH4]+ 318.154723 177.2
[M+K]+ 339.084058 169.8
[M+H-H2O]+ 283.118160 160.0
[M+HCOO]- 345.119101 179.5
[M+CH3COO]- 359.134751 193.0
[M+Na-2H]- 321.095566 167.3
[M]+ 300.12035142 165.3
[M]- 300.12144858 165.3
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.