CID 3018351

72584-59-9

Structural Information

Molecular Formula

C₉H₁₄N₂O

SMILES

COCCNC1=CC=C(C=C1)N

InChI

InChI=1S/C9H14N2O/c1-12-7-6-11-9-4-2-8(10)3-5-9/h2-5,11H,6-7,10H2,1H3

InChIKey

XCJRRZLPXALCIP-UHFFFAOYSA-N

Compound name

4-N-(2-methoxyethyl)benzene-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5947
Patents: 166.11061 Da
Monoisotopic Mass: 1.1
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]+	167.11789	135.4
[M+Na]+	189.09983	146.4
[M+NH4]+	184.14443	143.9
[M+K]+	205.07377	140.1
[M-H]-	165.10333	138.7
[M+Na-2H]-	187.08528	142.4
[M]+	166.11006	137.7
[M]-	166.11116	137.7

Literature stripe

literature stripe

Patent stripe

patents stripe