CID 5317045

3-nonen-2-one

Structural Information

Molecular Formula

C₉H₁₆O

SMILES

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

InChI

InChI=1S/C9H16O/c1-3-4-5-6-7-8-9(2)10/h7-8H,3-6H2,1-2H3/b8-7+

InChIKey

HDKLIZDXVUCLHQ-BQYQJAHWSA-N

Compound name

(E)-non-3-en-2-one

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 4
References: 1960
Patents: 140.12012 Da
Monoisotopic Mass: 2.8
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]+	141.12740	133.4
[M+Na]+	163.10934	143.8
[M+NH4]+	158.15394	141.2
[M+K]+	179.08328	137.2
[M-H]-	139.11284	132.9
[M+Na-2H]-	161.09479	136.8
[M]+	140.11957	134.5
[M]-	140.12067	134.5

Literature stripe

literature stripe

Patent stripe

patents stripe