CID 7120

93-05-0

Structural Information

Molecular Formula

C₁₀H₁₆N₂

SMILES

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

InChI

InChI=1S/C10H16N2/c1-3-12(4-2)10-7-5-9(11)6-8-10/h5-8H,3-4,11H2,1-2H3

InChIKey

QNGVNLMMEQUVQK-UHFFFAOYSA-N

Compound name

4-N,4-N-diethylbenzene-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 52
References: 22407
Patents: 164.13135 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]+	165.138626	136.9
[M+Na]+	187.120568	143.3
[M-H]-	163.124074	141.5
[M+NH4]+	182.165173	157.7
[M+K]+	203.094508	142.1
[M+H-H2O]+	147.128610	130.5
[M+HCOO]-	209.129551	163.1
[M+CH3COO]-	223.145201	188.0
[M+Na-2H]-	185.106016	142.6
[M]+	164.13080142	136.3
[M]-	164.13189858	136.3

Literature stripe

literature stripe

Patent stripe

patents stripe