CID 3059006

Phenylethyleugenol

Structural Information

Molecular Formula

C₁₈H₂₀O₂

SMILES

COC1=C(C=CC(=C1)CC=C)OCCC2=CC=CC=C2

InChI

InChI=1S/C18H20O2/c1-3-7-16-10-11-17(18(14-16)19-2)20-13-12-15-8-5-4-6-9-15/h3-6,8-11,14H,1,7,12-13H2,2H3

InChIKey

NDAOLZJCAWTLKT-UHFFFAOYSA-N

Compound name

2-methoxy-1-(2-phenylethoxy)-4-prop-2-enylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 268.14633 Da
Monoisotopic Mass: 4.5
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]+	269.153606	163.3
[M+Na]+	291.135548	170.2
[M-H]-	267.139054	169.6
[M+NH4]+	286.180153	179.7
[M+K]+	307.109488	165.9
[M+H-H2O]+	251.143590	155.2
[M+HCOO]-	313.144531	186.9
[M+CH3COO]-	327.160181	199.5
[M+Na-2H]-	289.120996	167.7
[M]+	268.14578142	166.6
[M]-	268.14687858	166.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe