CID 22621482

4960-64-9

Structural Information

Molecular Formula

C₁₀H₁₅NO₂

SMILES

C1=CC(=CC=C1CCN)OCCO

InChI

InChI=1S/C10H15NO2/c11-6-5-9-1-3-10(4-2-9)13-8-7-12/h1-4,12H,5-8,11H2

InChIKey

QBPQHSPIVXPXKQ-UHFFFAOYSA-N

Compound name

2-[4-(2-aminoethyl)phenoxy]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 98
Patents: 181.11028 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]+	182.11756	139.4
[M+Na]+	204.09950	146.0
[M-H]-	180.10300	141.1
[M+NH4]+	199.14410	158.3
[M+K]+	220.07344	143.5
[M+H-H2O]+	164.10754	133.3
[M+HCOO]-	226.10848	163.0
[M+CH3COO]-	240.12413	181.1
[M+Na-2H]-	202.08495	145.1
[M]+	181.10973	139.3
[M]-	181.11083	139.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe