CID 112708608

Schembl19329229

Structural Information

Molecular Formula

C₁₃H₂₁N

SMILES

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

InChI

InChI=1S/C13H21N/c1-11(2)9-13(3,14)10-12-7-5-4-6-8-12/h4-8,11H,9-10,14H2,1-3H3

InChIKey

XAVYMLUBOPCVLM-UHFFFAOYSA-N

Compound name

2,4-dimethyl-1-phenylpentan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 191.1674 Da
Monoisotopic Mass: 3.2
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]+	192.17468	147.3
[M+Na]+	214.15662	158.3
[M+NH4]+	209.20122	155.9
[M+K]+	230.13056	151.9
[M-H]-	190.16012	149.9
[M+Na-2H]-	212.14207	153.8
[M]+	191.16685	149.6
[M]-	191.16795	149.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe