CID 14171

1092-11-1

Structural Information

Molecular Formula

C₁₉H₂₂N₂

SMILES

C1CCN(CC1)CCC(C#N)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C19H22N2/c20-15-17(11-14-21-12-4-1-5-13-21)19-10-6-8-16-7-2-3-9-18(16)19/h2-3,6-10,17H,1,4-5,11-14H2

InChIKey

MXQCLDABRUMZOD-UHFFFAOYSA-N

Compound name

2-naphthalen-1-yl-4-piperidin-1-ylbutanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 278.17828 Da
Monoisotopic Mass: 4.1
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]+	279.185556	168.3
[M+Na]+	301.167498	174.9
[M-H]-	277.171004	171.2
[M+NH4]+	296.212103	181.4
[M+K]+	317.141438	166.4
[M+H-H2O]+	261.175540	152.8
[M+HCOO]-	323.176481	181.0
[M+CH3COO]-	337.192131	176.2
[M+Na-2H]-	299.152946	171.3
[M]+	278.17773142	158.7
[M]-	278.17882858	158.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe