CID 10330194

141983-78-0

Structural Information

Molecular Formula

C₁₃H₂₁N

SMILES

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

InChI

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

InChIKey

OQWVGYUWTXMDBQ-UHFFFAOYSA-N

Compound name

2,4-dimethyl-3-phenylpentan-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 64
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]+	192.174676	147.0
[M+Na]+	214.156618	151.9
[M-H]-	190.160124	149.8
[M+NH4]+	209.201223	166.1
[M+K]+	230.130558	150.0
[M+H-H2O]+	174.164660	141.3
[M+HCOO]-	236.165601	167.1
[M+CH3COO]-	250.181251	189.7
[M+Na-2H]-	212.142066	150.5
[M]+	191.16685142	144.9
[M]-	191.16794858	144.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe