CID 181106

1-nonen-3-one

Structural Information

Molecular Formula

C₉H₁₆O

SMILES

CCCCCCC(=O)C=C

InChI

InChI=1S/C9H16O/c1-3-5-6-7-8-9(10)4-2/h4H,2-3,5-8H2,1H3

InChIKey

HILCQVNWWOARMT-UHFFFAOYSA-N

Compound name

non-1-en-3-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 32
References: 10368
Patents: 140.12012 Da
Monoisotopic Mass: 3.0
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	133.3
[M+Na]+	163.10934	143.6
[M+NH4]+	158.15394	141.0
[M+K]+	179.08328	137.0
[M-H]-	139.11284	132.7
[M+Na-2H]-	161.09479	136.7
[M]+	140.11957	134.4
[M]-	140.12067	134.4

Literature stripe

literature stripe

Patent stripe

patents stripe