CID 39869131

3-(2-aminophenoxy)propanamide

Structural Information

Molecular Formula

C₉H₁₂N₂O₂

SMILES

C1=CC=C(C(=C1)N)OCCC(=O)N

InChI

InChI=1S/C9H12N2O2/c10-7-3-1-2-4-8(7)13-6-5-9(11)12/h1-4H,5-6,10H2,(H2,11,12)

InChIKey

BLPOLKPPEJBOIL-UHFFFAOYSA-N

Compound name

3-(2-aminophenoxy)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 180.08987 Da
Monoisotopic Mass: 0.0
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]+	181.09715	138.3
[M+Na]+	203.07909	148.2
[M+NH4]+	198.12369	145.6
[M+K]+	219.05303	143.3
[M-H]-	179.08259	140.4
[M+Na-2H]-	201.06454	143.8
[M]+	180.08932	139.9
[M]-	180.09042	139.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe