CID 3022410

93803-69-1

Structural Information

Molecular Formula

C₁₁H₁₈N₂O₂

SMILES

COCCOCCNC1=CC=C(C=C1)N

InChI

InChI=1S/C11H18N2O2/c1-14-8-9-15-7-6-13-11-4-2-10(12)3-5-11/h2-5,13H,6-9,12H2,1H3

InChIKey

PTMJZCOPVRHVKJ-UHFFFAOYSA-N

Compound name

4-N-[2-(2-methoxyethoxy)ethyl]benzene-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 210.13683 Da
Monoisotopic Mass: 0.9
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]+	211.144106	146.7
[M+Na]+	233.126048	152.3
[M-H]-	209.129554	149.5
[M+NH4]+	228.170653	164.8
[M+K]+	249.099988	150.5
[M+H-H2O]+	193.134090	139.6
[M+HCOO]-	255.135031	172.5
[M+CH3COO]-	269.150681	191.8
[M+Na-2H]-	231.111496	152.7
[M]+	210.13628142	148.1
[M]-	210.13737858	148.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe