CID 22060559

2-(3-aminophenoxy)-n-methylacetamide

Structural Information

Molecular Formula

C₉H₁₂N₂O₂

SMILES

CNC(=O)COC1=CC=CC(=C1)N

InChI

InChI=1S/C9H12N2O2/c1-11-9(12)6-13-8-4-2-3-7(10)5-8/h2-5H,6,10H2,1H3,(H,11,12)

InChIKey

KZKIDTIYOGQEBN-UHFFFAOYSA-N

Compound name

2-(3-aminophenoxy)-N-methylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 130
Patents: 180.08987 Da
Monoisotopic Mass: 0.3
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]+	181.09715	137.7
[M+Na]+	203.07909	144.4
[M-H]-	179.08259	141.1
[M+NH4]+	198.12369	156.9
[M+K]+	219.05303	142.9
[M+H-H2O]+	163.08713	131.3
[M+HCOO]-	225.08807	163.4
[M+CH3COO]-	239.10372	185.0
[M+Na-2H]-	201.06454	143.5
[M]+	180.08932	136.9
[M]-	180.09042	136.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe