CID 1563362

61096-84-2

Structural Information

Molecular Formula

C₁₄H₂₀O₃

SMILES

CCCCCCOC1=C(C=C(C=C1)C=O)OC

InChI

InChI=1S/C14H20O3/c1-3-4-5-6-9-17-13-8-7-12(11-15)10-14(13)16-2/h7-8,10-11H,3-6,9H2,1-2H3

InChIKey

DYJXODUYQQLNDC-UHFFFAOYSA-N

Compound name

4-hexoxy-3-methoxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 42
Patents: 236.14125 Da
Monoisotopic Mass: 3.7
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	154.0
[M+Na]+	259.13047	161.3
[M-H]-	235.13397	157.4
[M+NH4]+	254.17507	172.3
[M+K]+	275.10441	159.3
[M+H-H2O]+	219.13851	147.5
[M+HCOO]-	281.13945	177.8
[M+CH3COO]-	295.15510	193.9
[M+Na-2H]-	257.11592	158.2
[M]+	236.14070	160.2
[M]-	236.14180	160.2

Literature stripe

literature stripe

Patent stripe

patents stripe