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

7
Annotation Hits: 579
References: 78033
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]+	129.16378	131.0
[M+Na]+	151.14572	142.1
[M+NH4]+	146.19032	140.0
[M+K]+	167.11966	134.4
[M-H]-	127.14922	131.7
[M+Na-2H]-	149.13117	135.6
[M]+	128.15595	132.7
[M]-	128.15705	132.7

Literature stripe

literature stripe

Patent stripe

patents stripe