CID 6440731

Acetaldehyde ethyl isoeugenyl acetal

Structural Information

Molecular Formula

C₁₄H₂₀O₃

SMILES

CCOC(C)OC1=C(C=C(C=C1)/C=C/C)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/b7-5+

InChIKey

JLSRPGJKIAJORX-FNORWQNLSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 60
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]+	237.148526	154.5
[M+Na]+	259.130468	161.6
[M-H]-	235.133974	158.0
[M+NH4]+	254.175073	172.8
[M+K]+	275.104408	160.1
[M+H-H2O]+	219.138510	148.1
[M+HCOO]-	281.139451	177.3
[M+CH3COO]-	295.155101	194.0
[M+Na-2H]-	257.115916	157.4
[M]+	236.14070142	160.0
[M]-	236.14179858	160.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe