CID 33233

Chembl387519

Structural Information

Molecular Formula

C₁₆H₂₁N

SMILES

CC(CCN(C)C)C1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C16H21N/c1-13(11-12-17(2)3)15-10-6-8-14-7-4-5-9-16(14)15/h4-10,13H,11-12H2,1-3H3

InChIKey

VSHCVDNCTJJPDK-UHFFFAOYSA-N

Compound name

N,N-dimethyl-3-naphthalen-1-ylbutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 227.1674 Da
Monoisotopic Mass: 4.2
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]+	228.17468	154.5
[M+Na]+	250.15662	160.2
[M-H]-	226.16012	159.8
[M+NH4]+	245.20122	174.1
[M+K]+	266.13056	157.6
[M+H-H2O]+	210.16466	147.3
[M+HCOO]-	272.16560	177.1
[M+CH3COO]-	286.18125	200.2
[M+Na-2H]-	248.14207	159.8
[M]+	227.16685	155.8
[M]-	227.16795	155.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.