CID 60234

4,4'-(methylenedioxy)dianiline dihydrochloride

Structural Information

Molecular Formula

C₁₃H₁₄N₂O₂

SMILES

C1=CC(=CC=C1N)OCOC2=CC=C(C=C2)N

InChI

InChI=1S/C13H14N2O2/c14-10-1-5-12(6-2-10)16-9-17-13-7-3-11(15)4-8-13/h1-8H,9,14-15H2

InChIKey

ZRZCNDIPIZYLSC-UHFFFAOYSA-N

Compound name

4-[(4-aminophenoxy)methoxy]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 429
Patents: 230.10553 Da
Monoisotopic Mass: 1.6
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]+	231.11281	151.2
[M+Na]+	253.09475	164.1
[M+NH4]+	248.13935	159.6
[M+K]+	269.06869	157.2
[M-H]-	229.09825	156.6
[M+Na-2H]-	251.08020	160.2
[M]+	230.10498	154.5
[M]-	230.10608	154.5

Literature stripe

literature stripe

Patent stripe

patents stripe