CID 104469

2-((4-methoxybenzyl)amino)ethanol

Structural Information

Molecular Formula

C₁₀H₁₅NO₂

SMILES

COC1=CC=C(C=C1)CNCCO

InChI

InChI=1S/C10H15NO2/c1-13-10-4-2-9(3-5-10)8-11-6-7-12/h2-5,11-12H,6-8H2,1H3

InChIKey

UBLCRUHXSMDNQZ-UHFFFAOYSA-N

Compound name

2-[(4-methoxyphenyl)methylamino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 248
Patents: 181.11028 Da
Monoisotopic Mass: 0.8
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	138.9
[M+Na]+	204.09950	145.4
[M-H]-	180.10300	141.1
[M+NH4]+	199.14410	158.1
[M+K]+	220.07344	143.4
[M+H-H2O]+	164.10754	132.8
[M+HCOO]-	226.10848	163.1
[M+CH3COO]-	240.12413	181.7
[M+Na-2H]-	202.08495	145.7
[M]+	181.10973	139.8
[M]-	181.11083	139.8

Literature stripe

literature stripe

Patent stripe

patents stripe