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]+ 331.11763 176.5
[M+Na]+ 353.09957 187.6
[M+NH4]+ 348.14417 181.1
[M+K]+ 369.07351 183.1
[M-H]- 329.10307 177.2
[M+Na-2H]- 351.08502 181.0
[M]+ 330.10980 177.9
[M]- 330.11090 177.9
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.