CID 12362486

P-coumaryl p-coumarate

Structural Information

Molecular Formula
C18H16O4
SMILES
C1=CC(=CC=C1/C=C/COC(=O)/C=C/C2=CC=C(C=C2)O)O
InChI
InChI=1S/C18H16O4/c19-16-8-3-14(4-9-16)2-1-13-22-18(21)12-7-15-5-10-17(20)11-6-15/h1-12,19-20H,13H2/b2-1+,12-7+
InChIKey
AMABNLPAOLRCOD-BRPQVOEQSA-N
Compound name
[(E)-3-(4-hydroxyphenyl)prop-2-enyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

15
Patents

296.10486 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.11214 168.7
[M+Na]+ 319.09408 175.1
[M-H]- 295.09758 172.6
[M+NH4]+ 314.13868 182.4
[M+K]+ 335.06802 169.6
[M+H-H2O]+ 279.10212 161.1
[M+HCOO]- 341.10306 189.2
[M+CH3COO]- 355.11871 196.1
[M+Na-2H]- 317.07953 171.1
[M]+ 296.10431 169.0
[M]- 296.10541 169.0
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.