CID 200838

Brn 2809318

Structural Information

Molecular Formula

C₁₆H₂₄N₂

SMILES

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

InChI

InChI=1S/C16H24N2/c1-5-14(2)16(13-17,11-12-18(3)4)15-9-7-6-8-10-15/h6-10,14H,5,11-12H2,1-4H3

InChIKey

MVCMGQACMGHRSM-UHFFFAOYSA-N

Compound name

2-[2-(dimethylamino)ethyl]-3-methyl-2-phenylpentanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 244.19395 Da
Monoisotopic Mass: 3.7
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]+	245.20123	162.8
[M+Na]+	267.18317	172.9
[M+NH4]+	262.22777	167.3
[M+K]+	283.15711	163.4
[M-H]-	243.18667	158.0
[M+Na-2H]-	265.16862	166.2
[M]+	244.19340	162.1
[M]-	244.19450	162.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.