CID 76764608

(r)-2-feruloyl-1-(4-hydroxyphenyl)-1,2-ethanediol

Structural Information

Molecular Formula
C18H18O6
SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)OCC(C2=CC=C(C=C2)O)O)O
InChI
InChI=1S/C18H18O6/c1-23-17-10-12(2-8-15(17)20)3-9-18(22)24-11-16(21)13-4-6-14(19)7-5-13/h2-10,16,19-21H,11H2,1H3/b9-3+
InChIKey
CLQSQZGNPFWGAE-YCRREMRBSA-N
Compound name
[2-hydroxy-2-(4-hydroxyphenyl)ethyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.11035 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.117626 175.1
[M+Na]+ 353.099568 180.8
[M-H]- 329.103074 177.9
[M+NH4]+ 348.144173 186.6
[M+K]+ 369.073508 177.3
[M+H-H2O]+ 313.107610 167.4
[M+HCOO]- 375.108551 193.1
[M+CH3COO]- 389.124201 201.9
[M+Na-2H]- 351.085016 175.3
[M]+ 330.10980142 177.0
[M]- 330.11089858 177.0
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.