CID 76877

Cyclononanone

Structural Information

Molecular Formula

C₉H₁₆O

SMILES

C1CCCCC(=O)CCC1

InChI

InChI=1S/C9H16O/c10-9-7-5-3-1-2-4-6-8-9/h1-8H2

InChIKey

BAUZLFKYYIVGPM-UHFFFAOYSA-N

Compound name

cyclononanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1091
Patents: 140.12012 Da
Monoisotopic Mass: 2.6
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	177.5
[M+Na]+	163.10934	179.1
[M+NH4]+	158.15394	178.9
[M+K]+	179.08328	177.4
[M-H]-	139.11284	177.9
[M+Na-2H]-	161.09479	177.6
[M]+	140.11957	177.9
[M]-	140.12067	177.9

Literature stripe

literature stripe

Patent stripe

patents stripe