CID 7127

Methyl eugenol

Structural Information

Molecular Formula

C₁₁H₁₄O₂

SMILES

COC1=C(C=C(C=C1)CC=C)OC

InChI

InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3

InChIKey

ZYEMGPIYFIJGTP-UHFFFAOYSA-N

Compound name

1,2-dimethoxy-4-prop-2-enylbenzene

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 400
References: 16769
Patents: 178.09938 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]+	179.10666	137.9
[M+Na]+	201.08860	151.4
[M+NH4]+	196.13320	146.5
[M+K]+	217.06254	144.2
[M-H]-	177.09210	140.2
[M+Na-2H]-	199.07405	144.8
[M]+	178.09883	140.5
[M]-	178.09993	140.5

Literature stripe

literature stripe

Patent stripe

patents stripe