CID 158411

84029-92-5

Structural Information

Molecular Formula

C₁₄H₂₀O₃

SMILES

CCOC(C)OC1=C(C=C(C=C1)C=CC)OC

InChI

InChI=1S/C14H20O3/c1-5-7-12-8-9-13(14(10-12)15-4)17-11(3)16-6-2/h5,7-11H,6H2,1-4H3

InChIKey

JLSRPGJKIAJORX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 45
Patents: 236.14125 Da
Monoisotopic Mass: 3.2
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]+	237.14853	154.8
[M+Na]+	259.13047	166.9
[M+NH4]+	254.17507	162.1
[M+K]+	275.10441	160.3
[M-H]-	235.13397	156.2
[M+Na-2H]-	257.11592	160.0
[M]+	236.14070	156.8
[M]-	236.14180	156.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe