CID 12141287

6-methoxy eugenol

Structural Information

Molecular Formula

C₁₁H₁₄O₃

SMILES

COC1=C(C=CC(=C1OC)O)CC=C

InChI

InChI=1S/C11H14O3/c1-4-5-8-6-7-9(12)11(14-3)10(8)13-2/h4,6-7,12H,1,5H2,2-3H3

InChIKey

PVUBHWCTFDCTSX-UHFFFAOYSA-N

Compound name

2,3-dimethoxy-4-prop-2-enylphenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 135
Patents: 194.0943 Da
Monoisotopic Mass: 2.5
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]+	195.10158	139.9
[M+Na]+	217.08352	149.1
[M-H]-	193.08702	142.9
[M+NH4]+	212.12812	159.5
[M+K]+	233.05746	146.9
[M+H-H2O]+	177.09156	134.6
[M+HCOO]-	239.09250	163.2
[M+CH3COO]-	253.10815	183.4
[M+Na-2H]-	215.06897	144.6
[M]+	194.09375	143.6
[M]-	194.09485	143.6

Literature stripe

literature stripe

Patent stripe

patents stripe