CID 101020

2,2-diethylpent-4-enenitrile

Structural Information

Molecular Formula

C₉H₁₅N

SMILES

CCC(CC)(CC=C)C#N

InChI

InChI=1S/C9H15N/c1-4-7-9(5-2,6-3)8-10/h4H,1,5-7H2,2-3H3

InChIKey

GBWKBEIKORAGLS-UHFFFAOYSA-N

Compound name

2,2-diethylpent-4-enenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 137.12045 Da
Monoisotopic Mass: 2.7
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]+	138.12773	132.7
[M+Na]+	160.10967	142.8
[M+NH4]+	155.15427	137.3
[M+K]+	176.08361	133.8
[M-H]-	136.11317	125.2
[M+Na-2H]-	158.09512	134.5
[M]+	137.11990	131.1
[M]-	137.12100	131.1

Literature stripe

literature stripe

Patent stripe

patents stripe