CID 16715

Nonanenitrile

Structural Information

Molecular Formula

C₉H₁₇N

SMILES

CCCCCCCCC#N

InChI

InChI=1S/C9H17N/c1-2-3-4-5-6-7-8-9-10/h2-8H2,1H3

InChIKey

PLZZPPHAMDJOSR-UHFFFAOYSA-N

Compound name

nonanenitrile

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 4
References: 2304
Patents: 139.1361 Da
Monoisotopic Mass: 3.1
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]+	140.14338	129.1
[M+Na]+	162.12532	137.2
[M-H]-	138.12882	129.6
[M+NH4]+	157.16992	149.0
[M+K]+	178.09926	135.9
[M+H-H2O]+	122.13336	117.9
[M+HCOO]-	184.13430	148.8
[M+CH3COO]-	198.14995	190.4
[M+Na-2H]-	160.11077	135.0
[M]+	139.13555	126.6
[M]-	139.13665	126.6

Literature stripe

literature stripe

Patent stripe

patents stripe