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: 5
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]+	249.148526	157.1
[M+Na]+	271.130468	162.3
[M-H]-	247.133974	163.6
[M+NH4]+	266.175073	172.9
[M+K]+	287.104408	160.9
[M+H-H2O]+	231.138510	149.6
[M+HCOO]-	293.139451	176.8
[M+CH3COO]-	307.155101	193.6
[M+Na-2H]-	269.115916	161.2
[M]+	248.14070142	157.3
[M]-	248.14179858	157.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe