CID 347577

O-eugenol

Structural Information

Molecular Formula

C₁₀H₁₂O₂

SMILES

COC1=CC=CC(=C1O)CC=C

InChI

InChI=1S/C10H12O2/c1-3-5-8-6-4-7-9(12-2)10(8)11/h3-4,6-7,11H,1,5H2,2H3

InChIKey

LREHGXOCZVBABG-UHFFFAOYSA-N

Compound name

2-methoxy-6-prop-2-enylphenol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 492
Patents: 164.08372 Da
Monoisotopic Mass: 2.6
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]+	165.09100	132.8
[M+Na]+	187.07294	141.6
[M-H]-	163.07644	135.7
[M+NH4]+	182.11754	153.4
[M+K]+	203.04688	139.1
[M+H-H2O]+	147.08098	127.7
[M+HCOO]-	209.08192	156.3
[M+CH3COO]-	223.09757	177.1
[M+Na-2H]-	185.05839	138.8
[M]+	164.08317	134.3
[M]-	164.08427	134.3

Literature stripe

literature stripe

Patent stripe

patents stripe