CID 5705542

24807-37-2

Structural Information

Molecular Formula

C₁₇H₁₆O₄

SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)O)OCC2=CC=CC=C2

InChI

InChI=1S/C17H16O4/c1-20-15-9-7-13(8-10-17(18)19)11-16(15)21-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,18,19)/b10-8+

InChIKey

FQCWLBGBAQCDJF-CSKARUKUSA-N

Compound name

(E)-3-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 284.10486 Da
Monoisotopic Mass: 3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	285.112136	164.5
[M+Na]+	307.094078	171.3
[M-H]-	283.097584	169.8
[M+NH4]+	302.138683	179.3
[M+K]+	323.068018	167.5
[M+H-H2O]+	267.102120	156.7
[M+HCOO]-	329.103061	186.6
[M+CH3COO]-	343.118711	197.5
[M+Na-2H]-	305.079526	167.9
[M]+	284.10431142	167.1
[M]-	284.10540858	167.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe