CID 18165

3010-30-8

Structural Information

Molecular Formula

C₁₀H₁₆N₂

SMILES

CCNC1=CC=C(C=C1)NCC

InChI

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

InChIKey

ZEMODTUZIWTRPF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 775
Patents: 164.13135 Da
Monoisotopic Mass: 2.6
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]+	165.13863	136.0
[M+Na]+	187.12057	142.2
[M-H]-	163.12407	139.6
[M+NH4]+	182.16517	156.3
[M+K]+	203.09451	139.9
[M+H-H2O]+	147.12861	129.7
[M+HCOO]-	209.12955	162.3
[M+CH3COO]-	223.14520	185.2
[M+Na-2H]-	185.10602	143.6
[M]+	164.13080	135.1
[M]-	164.13190	135.1

Literature stripe

literature stripe

Patent stripe

patents stripe