CID 3043620

Phenethylamine, alpha,alpha-dimethyl-4-dimethylamino-, dihydrochloride

Structural Information

Molecular Formula

C₁₂H₂₀N₂

SMILES

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

InChI

InChI=1S/C12H20N2/c1-12(2,13)9-10-5-7-11(8-6-10)14(3)4/h5-8H,9,13H2,1-4H3

InChIKey

SLWRLIARNTYBCX-UHFFFAOYSA-N

Compound name

4-(2-amino-2-methylpropyl)-N,N-dimethylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 192.16264 Da
Monoisotopic Mass: 2.1
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]+	193.169916	145.8
[M+Na]+	215.151858	151.8
[M-H]-	191.155364	150.4
[M+NH4]+	210.196463	165.6
[M+K]+	231.125798	150.6
[M+H-H2O]+	175.159900	139.6
[M+HCOO]-	237.160841	169.7
[M+CH3COO]-	251.176491	194.5
[M+Na-2H]-	213.137306	151.1
[M]+	192.16209142	145.5
[M]-	192.16318858	145.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe