CID 637776

Methylisoeugenol

Structural Information

Molecular Formula

C₁₁H₁₄O₂

SMILES

C/C=C/C1=CC(=C(C=C1)OC)OC

InChI

InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4-8H,1-3H3/b5-4+

InChIKey

NNWHUJCUHAELCL-SNAWJCMRSA-N

Compound name

1,2-dimethoxy-4-[(E)-prop-1-enyl]benzene

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 51
References: 6122
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	138.0
[M+Na]+	201.08860	151.6
[M+NH4]+	196.13320	146.6
[M+K]+	217.06254	144.4
[M-H]-	177.09210	140.3
[M+Na-2H]-	199.07405	145.0
[M]+	178.09883	140.6
[M]-	178.09993	140.6

Literature stripe

literature stripe

Patent stripe

patents stripe