CID 6437471

Cis-hexenyl oxyacetaldehyde

Structural Information

Molecular Formula

C₈H₁₄O₂

SMILES

CC/C=C/CCOCC=O

InChI

InChI=1S/C8H14O2/c1-2-3-4-5-7-10-8-6-9/h3-4,6H,2,5,7-8H2,1H3/b4-3+

InChIKey

WNAJHTHKGZCCGS-ONEGZZNKSA-N

Compound name

2-[(E)-hex-3-enoxy]acetaldehyde

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 23
Patents: 142.09938 Da
Monoisotopic Mass: 1.4
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]+	143.106656	130.9
[M+Na]+	165.088598	138.0
[M-H]-	141.092104	130.9
[M+NH4]+	160.133203	152.7
[M+K]+	181.062538	137.1
[M+H-H2O]+	125.096640	126.2
[M+HCOO]-	187.097581	155.0
[M+CH3COO]-	201.113231	174.8
[M+Na-2H]-	163.074046	137.1
[M]+	142.09883142	134.4
[M]-	142.09992858	134.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe