CID 17762

2809-48-5

Structural Information

Molecular Formula

C₁₆H₂₂N₂

SMILES

CC(CCN1CCCCC1)(C#N)C2=CC=CC=C2

InChI

InChI=1S/C16H22N2/c1-16(14-17,15-8-4-2-5-9-15)10-13-18-11-6-3-7-12-18/h2,4-5,8-9H,3,6-7,10-13H2,1H3

InChIKey

BHQDNXUEOQZESE-UHFFFAOYSA-N

Compound name

2-methyl-2-phenyl-4-piperidin-1-ylbutanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 242.1783 Da
Monoisotopic Mass: 3.2
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]+	243.18558	164.0
[M+Na]+	265.16752	175.3
[M+NH4]+	260.21212	169.0
[M+K]+	281.14146	164.4
[M-H]-	241.17102	160.1
[M+Na-2H]-	263.15297	168.5
[M]+	242.17775	163.7
[M]-	242.17885	163.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe