CID 45091312

725237-16-1

Structural Information

Molecular Formula

C₉H₁₃NO₃

SMILES

COC1=CC(=CC(=C1)N)OCCO

InChI

InChI=1S/C9H13NO3/c1-12-8-4-7(10)5-9(6-8)13-3-2-11/h4-6,11H,2-3,10H2,1H3

InChIKey

HNUVTQVNYXNXSE-UHFFFAOYSA-N

Compound name

2-(3-amino-5-methoxyphenoxy)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 91
Patents: 183.08954 Da
Monoisotopic Mass: 0.5
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]+	184.096816	137.5
[M+Na]+	206.078758	145.3
[M-H]-	182.082264	139.8
[M+NH4]+	201.123363	156.6
[M+K]+	222.052698	143.7
[M+H-H2O]+	166.086800	131.6
[M+HCOO]-	228.087741	161.6
[M+CH3COO]-	242.103391	181.4
[M+Na-2H]-	204.064206	143.1
[M]+	183.08899142	138.9
[M]-	183.09008858	138.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe