CID 18425705

4-(piperidin-4-yl)butanenitrile hydrochloride

Structural Information

Molecular Formula

C₉H₁₆N₂

SMILES

C1CNCCC1CCCC#N

InChI

InChI=1S/C9H16N2/c10-6-2-1-3-9-4-7-11-8-5-9/h9,11H,1-5,7-8H2

InChIKey

OULFZHGRTNJEBI-UHFFFAOYSA-N

Compound name

4-piperidin-4-ylbutanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 152.13135 Da
Monoisotopic Mass: 1.1
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]+	153.13863	132.5
[M+Na]+	175.12057	138.8
[M-H]-	151.12407	132.1
[M+NH4]+	170.16517	149.4
[M+K]+	191.09451	135.6
[M+H-H2O]+	135.12861	119.7
[M+HCOO]-	197.12955	147.0
[M+CH3COO]-	211.14520	186.7
[M+Na-2H]-	173.10602	137.4
[M]+	152.13080	122.4
[M]-	152.13190	122.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe