CID 10475220

8,8'-diferulic acid

Structural Information

Molecular Formula
C20H18O8
SMILES
COC1=C(C=CC(=C1)/C=C(/C(=O)O)\C(=C/C2=CC(=C(C=C2)O)OC)\C(=O)O)O
InChI
InChI=1S/C20H18O8/c1-27-17-9-11(3-5-15(17)21)7-13(19(23)24)14(20(25)26)8-12-4-6-16(22)18(10-12)28-2/h3-10,21-22H,1-2H3,(H,23,24)(H,25,26)/b13-7+,14-8+
InChIKey
SPKZMOSDXTYXLK-FNCQTZNRSA-N
Compound name
(2E,3E)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methylidene]butanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3090
References

26
Patents

386.10016 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.10744 185.4
[M+Na]+ 409.08938 190.0
[M-H]- 385.09288 186.8
[M+NH4]+ 404.13398 193.5
[M+K]+ 425.06332 187.3
[M+H-H2O]+ 369.09742 177.7
[M+HCOO]- 431.09836 199.8
[M+CH3COO]- 445.11401 212.4
[M+Na-2H]- 407.07483 181.5
[M]+ 386.09961 186.8
[M]- 386.10071 186.8
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.