CID 96532

2,6-diallyl-4-methoxyphenol

Structural Information

Molecular Formula

C₁₃H₁₆O₂

SMILES

COC1=CC(=C(C(=C1)CC=C)O)CC=C

InChI

InChI=1S/C13H16O2/c1-4-6-10-8-12(15-3)9-11(7-5-2)13(10)14/h4-5,8-9,14H,1-2,6-7H2,3H3

InChIKey

FLSIHRBYEUUNFL-UHFFFAOYSA-N

Compound name

4-methoxy-2,6-bis(prop-2-enyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 3
Patents: 204.11504 Da
Monoisotopic Mass: 3.7
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]+	205.12232	146.4
[M+Na]+	227.10426	159.4
[M+NH4]+	222.14886	154.0
[M+K]+	243.07820	152.1
[M-H]-	203.10776	147.9
[M+Na-2H]-	225.08971	151.8
[M]+	204.11449	148.6
[M]-	204.11559	148.6

Literature stripe

literature stripe

Patent stripe

patents stripe