CID 10654445

3z-nonen-2,5-dione

Structural Information

Molecular Formula

C₉H₁₄O₂

SMILES

CCCCC(=O)/C=C\C(=O)C

InChI

InChI=1S/C9H14O2/c1-3-4-5-9(11)7-6-8(2)10/h6-7H,3-5H2,1-2H3/b7-6-

InChIKey

JVDFOBAEQVATET-SREVYHEPSA-N

Compound name

(Z)-non-3-ene-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 154.09938 Da
Monoisotopic Mass: 1.2
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	134.4
[M+Na]+	177.08860	141.0
[M-H]-	153.09210	134.5
[M+NH4]+	172.13320	155.6
[M+K]+	193.06254	140.1
[M+H-H2O]+	137.09664	129.8
[M+HCOO]-	199.09758	156.4
[M+CH3COO]-	213.11323	178.5
[M+Na-2H]-	175.07405	137.6
[M]+	154.09883	136.4
[M]-	154.09993	136.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.