CID 76238

2933-75-7

Structural Information

Molecular Formula

C₉H₁₃NO₂

SMILES

COC1=CC=CC=C1NCCO

InChI

InChI=1S/C9H13NO2/c1-12-9-5-3-2-4-8(9)10-6-7-11/h2-5,10-11H,6-7H2,1H3

InChIKey

CWDMDQXDGXFQFX-UHFFFAOYSA-N

Compound name

2-(2-methoxyanilino)ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 85
Patents: 167.09464 Da
Monoisotopic Mass: 1.5
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]+	168.101916	134.3
[M+Na]+	190.083858	141.3
[M-H]-	166.087364	136.7
[M+NH4]+	185.128463	154.1
[M+K]+	206.057798	139.4
[M+H-H2O]+	150.091900	128.5
[M+HCOO]-	212.092841	158.9
[M+CH3COO]-	226.108491	178.7
[M+Na-2H]-	188.069306	141.6
[M]+	167.09409142	134.8
[M]-	167.09518858	134.8

Literature stripe

literature stripe

Patent stripe

patents stripe