CID 3049696

65126-83-2

Structural Information

Molecular Formula

C₁₅H₂₀ClN

SMILES

CC(C)N(CC#CC1=CC=C(C=C1)Cl)C(C)C

InChI

InChI=1S/C15H20ClN/c1-12(2)17(13(3)4)11-5-6-14-7-9-15(16)10-8-14/h7-10,12-13H,11H2,1-4H3

InChIKey

UIWMMSMQYSULBY-UHFFFAOYSA-N

Compound name

3-(4-chlorophenyl)-N,N-di(propan-2-yl)prop-2-yn-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 249.12843 Da
Monoisotopic Mass: 4.4
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]+	250.135706	160.3
[M+Na]+	272.117648	169.0
[M-H]-	248.121154	163.1
[M+NH4]+	267.162253	177.0
[M+K]+	288.091588	163.6
[M+H-H2O]+	232.125690	148.7
[M+HCOO]-	294.126631	172.9
[M+CH3COO]-	308.142281	207.4
[M+Na-2H]-	270.103096	160.6
[M]+	249.12788142	157.6
[M]-	249.12897858	157.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.