CID 3030862

63905-25-9

Structural Information

Molecular Formula

C₉H₁₃NO₃

SMILES

C1=CC=C(C(=C1)N)OCC(CO)O

InChI

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

InChIKey

HPYYCONYZSKTMH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 183.08954 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]+	184.09682	138.8
[M+Na]+	206.07876	145.0
[M-H]-	182.08226	139.3
[M+NH4]+	201.12336	156.7
[M+K]+	222.05270	142.9
[M+H-H2O]+	166.08680	133.0
[M+HCOO]-	228.08774	160.4
[M+CH3COO]-	242.10339	178.6
[M+Na-2H]-	204.06421	143.2
[M]+	183.08899	137.2
[M]-	183.09009	137.2

Literature stripe

literature stripe

Patent stripe

patents stripe