CID 10860695

159235-16-2

Structural Information

Molecular Formula

C₂₀H₁₈O₅

SMILES

CC(=C)C(=O)OC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OCC=C

InChI

InChI=1S/C20H18O5/c1-4-13-23-16-7-5-15(6-8-16)20(22)25-18-11-9-17(10-12-18)24-19(21)14(2)3/h4-12H,1-2,13H2,3H3

InChIKey

VRISIUMRBYLVHV-UHFFFAOYSA-N

Compound name

[4-(2-methylprop-2-enoyloxy)phenyl] 4-prop-2-enoxybenzoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 23
Patents: 338.11542 Da
Monoisotopic Mass: 4.7
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]+	339.122696	177.9
[M+Na]+	361.104638	183.7
[M-H]-	337.108144	184.3
[M+NH4]+	356.149243	190.8
[M+K]+	377.078578	180.8
[M+H-H2O]+	321.112680	169.5
[M+HCOO]-	383.113621	199.1
[M+CH3COO]-	397.129271	210.6
[M+Na-2H]-	359.090086	178.0
[M]+	338.11487142	182.2
[M]-	338.11596858	182.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe