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

3
Annotation Hits: 4
References: 1997
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	132.3
[M+Na]+	162.12532	142.6
[M+NH4]+	157.16992	137.4
[M+K]+	178.09926	132.7
[M-H]-	138.12882	125.6
[M+Na-2H]-	160.11077	134.4
[M]+	139.13555	131.0
[M]-	139.13665	131.0

Literature stripe

literature stripe

Patent stripe

patents stripe