CID 3044886

2-amino-n,n-diethyl-3-methylbenzylamine hydrochloride

Structural Information

Molecular Formula

C₁₂H₂₀N₂

SMILES

CCN(CC)CC1=CC=CC(=C1N)C

InChI

InChI=1S/C12H20N2/c1-4-14(5-2)9-11-8-6-7-10(3)12(11)13/h6-8H,4-5,9,13H2,1-3H3

InChIKey

UOCINPIFMVSPFQ-UHFFFAOYSA-N

Compound name

2-(diethylaminomethyl)-6-methylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 192.16264 Da
Monoisotopic Mass: 2.2
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]+	193.169916	146.0
[M+Na]+	215.151858	152.5
[M-H]-	191.155364	150.6
[M+NH4]+	210.196463	166.0
[M+K]+	231.125798	150.9
[M+H-H2O]+	175.159900	139.4
[M+HCOO]-	237.160841	171.5
[M+CH3COO]-	251.176491	195.3
[M+Na-2H]-	213.137306	149.9
[M]+	192.16209142	146.5
[M]-	192.16318858	146.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe