CID 51817

2-nonynenitrile

Structural Information

Molecular Formula

C₉H₁₃N

SMILES

CCCCCCC#CC#N

InChI

InChI=1S/C9H13N/c1-2-3-4-5-6-7-8-9-10/h2-6H2,1H3

InChIKey

LVZVEAOJFLMDAP-UHFFFAOYSA-N

Compound name

non-2-ynenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 135.1048 Da
Monoisotopic Mass: 3.6
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]+	136.112076	139.1
[M+Na]+	158.094018	148.2
[M-H]-	134.097524	140.8
[M+NH4]+	153.138623	153.8
[M+K]+	174.067958	145.9
[M+H-H2O]+	118.102060	125.7
[M+HCOO]-	180.103001	150.5
[M+CH3COO]-	194.118651	207.5
[M+Na-2H]-	156.079466	142.3
[M]+	135.10425142	132.4
[M]-	135.10534858	132.4

Literature stripe

literature stripe

Patent stripe

patents stripe