CID 17389813

910443-08-2

Structural Information

Molecular Formula

C₁₀H₁₅NO₂

SMILES

CCOC1=CC=C(C=C1)C(CO)N

InChI

InChI=1S/C10H15NO2/c1-2-13-9-5-3-8(4-6-9)10(11)7-12/h3-6,10,12H,2,7,11H2,1H3

InChIKey

LKPQDUDJZDZRJS-UHFFFAOYSA-N

Compound name

2-amino-2-(4-ethoxyphenyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
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	140.2
[M+Na]+	204.09950	146.5
[M-H]-	180.10300	142.0
[M+NH4]+	199.14410	159.0
[M+K]+	220.07344	144.5
[M+H-H2O]+	164.10754	134.2
[M+HCOO]-	226.10848	162.7
[M+CH3COO]-	240.12413	182.0
[M+Na-2H]-	202.08495	144.6
[M]+	181.10973	139.4
[M]-	181.11083	139.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe