CID 15612468

(2e,4e)-octa-2,4,7-trienal

Structural Information

Molecular Formula

C₈H₁₀O

SMILES

C=CC/C=C/C=C/C=O

InChI

InChI=1S/C8H10O/c1-2-3-4-5-6-7-8-9/h2,4-8H,1,3H2/b5-4+,7-6+

InChIKey

VEIAVWGDUXTGOR-YTXTXJHMSA-N

Compound name

(2E,4E)-octa-2,4,7-trienal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 122.073166 Da
Monoisotopic Mass: 1.9
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]+	123.08044	124.5
[M+Na]+	145.06238	132.3
[M-H]-	121.06589	124.8
[M+NH4]+	140.10699	147.1
[M+K]+	161.03632	129.8
[M+H-H2O]+	105.07043	120.4
[M+HCOO]-	167.07137	148.8
[M+CH3COO]-	181.08702	170.3
[M+Na-2H]-	143.04783	130.9
[M]+	122.07262	125.2
[M]-	122.07371	125.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.