CID 3879885

4-(2-methoxyethoxy)aniline

Structural Information

Molecular Formula

C₉H₁₃NO₂

SMILES

COCCOC1=CC=C(C=C1)N

InChI

InChI=1S/C9H13NO2/c1-11-6-7-12-9-4-2-8(10)3-5-9/h2-5H,6-7,10H2,1H3

InChIKey

DIOBEQCFVVJJBU-UHFFFAOYSA-N

Compound name

4-(2-methoxyethoxy)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 762
Patents: 167.09464 Da
Monoisotopic Mass: 1.0
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]+	168.10192	134.5
[M+Na]+	190.08386	146.4
[M+NH4]+	185.12846	142.9
[M+K]+	206.05780	140.1
[M-H]-	166.08736	137.0
[M+Na-2H]-	188.06931	141.4
[M]+	167.09409	136.8
[M]-	167.09519	136.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe