CID 112708608

Refchem:443725

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: 41
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]+	192.174676	147.1
[M+Na]+	214.156618	152.2
[M-H]-	190.160124	149.8
[M+NH4]+	209.201223	166.3
[M+K]+	230.130558	149.8
[M+H-H2O]+	174.164660	141.3
[M+HCOO]-	236.165601	168.2
[M+CH3COO]-	250.181251	188.8
[M+Na-2H]-	212.142066	151.8
[M]+	191.16685142	145.6
[M]-	191.16794858	145.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe