CID 208936

Etaminile

Structural Information

Molecular Formula

C₁₅H₂₂N₂

SMILES

CCC(CC(C)N(C)C)(C#N)C1=CC=CC=C1

InChI

InChI=1S/C15H22N2/c1-5-15(12-16,11-13(2)17(3)4)14-9-7-6-8-10-14/h6-10,13H,5,11H2,1-4H3

InChIKey

CNKVQTMWLAZAPL-UHFFFAOYSA-N

Compound name

4-(dimethylamino)-2-ethyl-2-phenylpentanenitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 21
Patents: 230.1783 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]+	231.185576	160.6
[M+Na]+	253.167518	167.2
[M-H]-	229.171024	164.3
[M+NH4]+	248.212123	177.0
[M+K]+	269.141458	164.9
[M+H-H2O]+	213.175560	147.4
[M+HCOO]-	275.176501	178.6
[M+CH3COO]-	289.192151	210.6
[M+Na-2H]-	251.152966	163.8
[M]+	230.17775142	156.7
[M]-	230.17884858	156.7

Literature stripe

literature stripe

Patent stripe

patents stripe