CID 105392

2,6-nonadienenitrile

Structural Information

Molecular Formula

C₉H₁₃N

SMILES

CCC=CCCC=CC#N

InChI

InChI=1S/C9H13N/c1-2-3-4-5-6-7-8-9-10/h3-4,7-8H,2,5-6H2,1H3

InChIKey

DSOXXQLCMAEPEZ-UHFFFAOYSA-N

Compound name

nona-2,6-dienenitrile

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 190
Patents: 135.1048 Da
Monoisotopic Mass: 2.5
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]+	136.11208	129.2
[M+Na]+	158.09402	138.0
[M-H]-	134.09752	129.9
[M+NH4]+	153.13862	149.3
[M+K]+	174.06796	135.6
[M+H-H2O]+	118.10206	118.2
[M+HCOO]-	180.10300	149.2
[M+CH3COO]-	194.11865	187.4
[M+Na-2H]-	156.07947	135.0
[M]+	135.10425	125.3
[M]-	135.10535	125.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe