CID 5283344

4-hydroxynonenal

Structural Information

Molecular Formula

C₉H₁₆O₂

SMILES

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

InChI

InChI=1S/C9H16O2/c1-2-3-4-6-9(11)7-5-8-10/h5,7-9,11H,2-4,6H2,1H3/b7-5+

InChIKey

JVJFIQYAHPMBBX-FNORWQNLSA-N

Compound name

(E)-4-hydroxynon-2-enal

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 3213
References: 10318
Patents: 156.11504 Da
Monoisotopic Mass: 1.7
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]+	157.12232	137.0
[M+Na]+	179.10426	143.0
[M-H]-	155.10776	135.5
[M+NH4]+	174.14886	157.4
[M+K]+	195.07820	141.2
[M+H-H2O]+	139.11230	132.3
[M+HCOO]-	201.11324	158.2
[M+CH3COO]-	215.12889	175.8
[M+Na-2H]-	177.08971	140.7
[M]+	156.11449	138.3
[M]-	156.11559	138.3

Literature stripe

literature stripe

Patent stripe

patents stripe