CID 14158111

Hydroxytyrosol 4'-o-glucoside

Structural Information

Molecular Formula
C14H20O8
SMILES
C1=CC(=C(C=C1CCO)O)OC2C(C(C(C(O2)CO)O)O)O
InChI
InChI=1S/C14H20O8/c15-4-3-7-1-2-9(8(17)5-7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-2,5,10-20H,3-4,6H2
InChIKey
JVOQYXVFJHETKK-UHFFFAOYSA-N
Compound name
2-[2-hydroxy-4-(2-hydroxyethyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

316.1158 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.12308 169.6
[M+Na]+ 339.10502 174.9
[M-H]- 315.10852 169.3
[M+NH4]+ 334.14962 178.9
[M+K]+ 355.07896 173.0
[M+H-H2O]+ 299.11306 162.9
[M+HCOO]- 361.11400 180.9
[M+CH3COO]- 375.12965 195.1
[M+Na-2H]- 337.09047 169.2
[M]+ 316.11525 168.3
[M]- 316.11635 168.3
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

patents stripe