CID 214390

33132-79-5

Structural Information

Molecular Formula

C₁₃H₂₁N

SMILES

CC(C)C(CN(C)C)C1=CC=CC=C1

InChI

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

InChIKey

GMBJYHKHRNMJRV-UHFFFAOYSA-N

Compound name

N,N,3-trimethyl-2-phenylbutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 191.1674 Da
Monoisotopic Mass: 3.3
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	146.9
[M+Na]+	214.15662	158.4
[M+NH4]+	209.20122	156.1
[M+K]+	230.13056	151.8
[M-H]-	190.16012	150.4
[M+Na-2H]-	212.14207	153.9
[M]+	191.16685	149.6
[M]-	191.16795	149.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.