CID 87749152

(e)-1-hydroxy-2-nonene-4-one

Structural Information

Molecular Formula

C₉H₁₆O₂

SMILES

CCCCCC(=O)/C=C/CO

InChI

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

InChIKey

GLYROUYLKGPVGY-FNORWQNLSA-N

Compound name

(E)-1-hydroxynon-2-en-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 156.11504 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]+	157.12232	137.0
[M+Na]+	179.10426	146.2
[M+NH4]+	174.14886	143.7
[M+K]+	195.07820	140.5
[M-H]-	155.10776	135.2
[M+Na-2H]-	177.08971	139.2
[M]+	156.11449	137.4
[M]-	156.11559	137.4

Literature stripe

literature stripe

Patent stripe

patents stripe