CID 459260

58754-71-5

Structural Information

Molecular Formula

C₉H₁₃NO₃

SMILES

C1=CC(=CC=C1N)OCC(CO)O

InChI

InChI=1S/C9H13NO3/c10-7-1-3-9(4-2-7)13-6-8(12)5-11/h1-4,8,11-12H,5-6,10H2

InChIKey

UVXFYVIGAUPIOP-UHFFFAOYSA-N

Compound name

3-(4-aminophenoxy)propane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 148
Patents: 183.08954 Da
Monoisotopic Mass: -0.1
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	138.8
[M+Na]+	206.078758	145.0
[M-H]-	182.082264	139.3
[M+NH4]+	201.123363	156.7
[M+K]+	222.052698	142.9
[M+H-H2O]+	166.086800	133.0
[M+HCOO]-	228.087741	160.4
[M+CH3COO]-	242.103391	178.6
[M+Na-2H]-	204.064206	143.2
[M]+	183.08899142	137.2
[M]-	183.09008858	137.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe