CID 44149473

Isoeugenyl butyl ether

Structural Information

Molecular Formula

C₁₄H₂₀O₂

SMILES

CCCCOC1=C(C=C(C=C1)/C=C/C)OC

InChI

InChI=1S/C14H20O2/c1-4-6-10-16-13-9-8-12(7-5-2)11-14(13)15-3/h5,7-9,11H,4,6,10H2,1-3H3/b7-5+

InChIKey

VTCAIAGLQULXQO-FNORWQNLSA-N

Compound name

1-butoxy-2-methoxy-4-[(E)-prop-1-enyl]benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 220.14633 Da
Monoisotopic Mass: 4.1
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]+	221.15361	151.6
[M+Na]+	243.13555	164.6
[M+NH4]+	238.18015	159.7
[M+K]+	259.10949	156.6
[M-H]-	219.13905	153.8
[M+Na-2H]-	241.12100	157.8
[M]+	220.14578	154.1
[M]-	220.14688	154.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe