CID 17763

2809-49-6

Structural Information

Molecular Formula

C₁₇H₂₄N₂

SMILES

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

InChI

InChI=1S/C17H24N2/c1-2-17(15-18,16-9-5-3-6-10-16)11-14-19-12-7-4-8-13-19/h3,5-6,9-10H,2,4,7-8,11-14H2,1H3

InChIKey

FMLRYJANQCJZDM-UHFFFAOYSA-N

Compound name

2-ethyl-2-phenyl-4-piperidin-1-ylbutanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 256.19394 Da
Monoisotopic Mass: 3.6
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]+	257.20122	164.2
[M+Na]+	279.18316	169.7
[M-H]-	255.18666	166.7
[M+NH4]+	274.22776	177.5
[M+K]+	295.15710	163.9
[M+H-H2O]+	239.19120	149.4
[M+HCOO]-	301.19214	177.3
[M+CH3COO]-	315.20779	207.0
[M+Na-2H]-	277.16861	167.9
[M]+	256.19339	155.2
[M]-	256.19449	155.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe