CID 167668

17653-76-8

Structural Information

Molecular Formula

C₉H₁₆O₂

SMILES

CCCC(=CC(=O)CCC)O

InChI

InChI=1S/C9H16O2/c1-3-5-8(10)7-9(11)6-4-2/h7,10H,3-6H2,1-2H3

InChIKey

FCLPVKKIDAKMNL-UHFFFAOYSA-N

Compound name

6-hydroxynon-5-en-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 156.11504 Da
Monoisotopic Mass: 2.4
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	137.2
[M+Na]+	179.10426	143.0
[M-H]-	155.10776	135.8
[M+NH4]+	174.14886	157.6
[M+K]+	195.07820	141.8
[M+H-H2O]+	139.11230	132.7
[M+HCOO]-	201.11324	157.5
[M+CH3COO]-	215.12889	176.7
[M+Na-2H]-	177.08971	139.7
[M]+	156.11449	137.9
[M]-	156.11559	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe