CID 87773

5-allyl-2-phenoxyanisole

Structural Information

Molecular Formula

C₁₆H₁₆O₂

SMILES

COC1=C(C=CC(=C1)CC=C)OC2=CC=CC=C2

InChI

InChI=1S/C16H16O2/c1-3-7-13-10-11-15(16(12-13)17-2)18-14-8-5-4-6-9-14/h3-6,8-12H,1,7H2,2H3

InChIKey

JXCFPQRFQYEEGF-UHFFFAOYSA-N

Compound name

2-methoxy-1-phenoxy-4-prop-2-enylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 60
Patents: 240.11504 Da
Monoisotopic Mass: 4.1
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]+	241.12232	155.0
[M+Na]+	263.10426	170.5
[M+NH4]+	258.14886	164.0
[M+K]+	279.07820	161.6
[M-H]-	239.10776	160.0
[M+Na-2H]-	261.08971	164.9
[M]+	240.11449	158.8
[M]-	240.11559	158.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe