CID 204291

Chembl163814

Structural Information

Molecular Formula

C₁₃H₂₁N

SMILES

CCCC1=CC=C(C=C1)CC(C)NC

InChI

InChI=1S/C13H21N/c1-4-5-12-6-8-13(9-7-12)10-11(2)14-3/h6-9,11,14H,4-5,10H2,1-3H3

InChIKey

IIRAUZQVFXYSCK-UHFFFAOYSA-N

Compound name

N-methyl-1-(4-propylphenyl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 191.1674 Da
Monoisotopic Mass: 3.4
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]+	192.17468	146.6
[M+Na]+	214.15662	158.6
[M+NH4]+	209.20122	155.6
[M+K]+	230.13056	150.9
[M-H]-	190.16012	150.0
[M+Na-2H]-	212.14207	153.5
[M]+	191.16685	149.3
[M]-	191.16795	149.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.