CID 8141

Nonane

Structural Information

Molecular Formula

C₉H₂₀

SMILES

CCCCCCCCC

InChI

InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3

InChIKey

BKIMMITUMNQMOS-UHFFFAOYSA-N

Compound name

nonane

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 579
References: 177581
Patents: 128.1565 Da
Monoisotopic Mass: 4.5
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]+	129.163776	132.2
[M+Na]+	151.145718	138.2
[M-H]-	127.149224	132.1
[M+NH4]+	146.190323	154.8
[M+K]+	167.119658	137.5
[M+H-H2O]+	111.153760	127.7
[M+HCOO]-	173.154701	155.1
[M+CH3COO]-	187.170351	176.6
[M+Na-2H]-	149.131166	137.9
[M]+	128.15595142	134.7
[M]-	128.15704858	134.7

Literature stripe

literature stripe

Patent stripe

patents stripe