CID 174886

Eugenol tetrahydropyran

Structural Information

Molecular Formula

C₁₅H₂₀O₃

SMILES

COC1=C(C=CC(=C1)CC=C)OC2CCCCO2

InChI

InChI=1S/C15H20O3/c1-3-6-12-8-9-13(14(11-12)16-2)18-15-7-4-5-10-17-15/h3,8-9,11,15H,1,4-7,10H2,2H3

InChIKey

IKCCQQBIAULDMO-UHFFFAOYSA-N

Compound name

2-(2-methoxy-4-prop-2-enylphenoxy)oxane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 7
Patents: 248.14125 Da
Monoisotopic Mass: 3.8
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]+	249.14853	157.5
[M+Na]+	271.13047	170.3
[M+NH4]+	266.17507	165.8
[M+K]+	287.10441	163.1
[M-H]-	247.13397	162.8
[M+Na-2H]-	269.11592	164.0
[M]+	248.14070	160.8
[M]-	248.14180	160.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe