CID 204510

Butylamine, 3-phenyl-n,n,3-trimethyl-, hydrochloride

Structural Information

Molecular Formula

C₁₃H₂₁N

SMILES

CC(C)(CCN(C)C)C1=CC=CC=C1

InChI

InChI=1S/C13H21N/c1-13(2,10-11-14(3)4)12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3

InChIKey

GGABWWWIWHFWDU-UHFFFAOYSA-N

Compound name

N,N,3-trimethyl-3-phenylbutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 191.1674 Da
Monoisotopic Mass: 3.5
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	146.1
[M+Na]+	214.15662	151.6
[M-H]-	190.16012	150.7
[M+NH4]+	209.20122	166.2
[M+K]+	230.13056	150.5
[M+H-H2O]+	174.16466	139.9
[M+HCOO]-	236.16560	169.3
[M+CH3COO]-	250.18125	192.2
[M+Na-2H]-	212.14207	152.3
[M]+	191.16685	147.5
[M]-	191.16795	147.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.