CID 10678961

Methyl 2-(3-aminophenoxy)acetate

Structural Information

Molecular Formula

C₉H₁₁NO₃

SMILES

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

InChI

InChI=1S/C9H11NO3/c1-12-9(11)6-13-8-4-2-3-7(10)5-8/h2-5H,6,10H2,1H3

InChIKey

XENTXTUUBRDTST-UHFFFAOYSA-N

Compound name

methyl 2-(3-aminophenoxy)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 86
Patents: 181.0739 Da
Monoisotopic Mass: 0.7
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]+	182.08118	137.3
[M+Na]+	204.06312	148.4
[M+NH4]+	199.10772	144.8
[M+K]+	220.03706	143.4
[M-H]-	180.06662	138.8
[M+Na-2H]-	202.04857	143.2
[M]+	181.07335	139.1
[M]-	181.07445	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe