CID 6445537

4-oxo-2-nonenal

Structural Information

Molecular Formula

C₉H₁₄O₂

SMILES

CCCCCC(=O)/C=C/C=O

InChI

InChI=1S/C9H14O2/c1-2-3-4-6-9(11)7-5-8-10/h5,7-8H,2-4,6H2,1H3/b7-5+

InChIKey

SEPPVOUBHWNCAW-FNORWQNLSA-N

Compound name

(E)-4-oxonon-2-enal

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 111
References: 1852
Patents: 154.09938 Da
Monoisotopic Mass: 1.6
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]+	155.10666	134.3
[M+Na]+	177.08860	141.1
[M-H]-	153.09210	134.3
[M+NH4]+	172.13320	155.5
[M+K]+	193.06254	139.7
[M+H-H2O]+	137.09664	129.6
[M+HCOO]-	199.09758	157.3
[M+CH3COO]-	213.11323	177.6
[M+Na-2H]-	175.07405	138.7
[M]+	154.09883	136.9
[M]-	154.09993	136.9

Literature stripe

literature stripe

Patent stripe

patents stripe