CID 77333

3739-67-1

Structural Information

Molecular Formula

C₂₁H₂₄O₂

SMILES

CC(C)(C1=CC=C(C=C1)OCC=C)C2=CC=C(C=C2)OCC=C

InChI

InChI=1S/C21H24O2/c1-5-15-22-19-11-7-17(8-12-19)21(3,4)18-9-13-20(14-10-18)23-16-6-2/h5-14H,1-2,15-16H2,3-4H3

InChIKey

SCZZNWQQCGSWSZ-UHFFFAOYSA-N

Compound name

1-prop-2-enoxy-4-[2-(4-prop-2-enoxyphenyl)propan-2-yl]benzene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 2363
Patents: 308.17764 Da
Monoisotopic Mass: 5.9
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]+	309.184916	175.8
[M+Na]+	331.166858	182.2
[M-H]-	307.170364	181.9
[M+NH4]+	326.211463	190.6
[M+K]+	347.140798	177.1
[M+H-H2O]+	291.174900	167.8
[M+HCOO]-	353.175841	197.0
[M+CH3COO]-	367.191491	208.1
[M+Na-2H]-	329.152306	179.4
[M]+	308.17709142	179.1
[M]-	308.17818858	179.1

Literature stripe

literature stripe

Patent stripe

patents stripe