CID 5666

Viloxazine

Structural Information

Molecular Formula

C₁₃H₁₉NO₃

SMILES

CCOC1=CC=CC=C1OCC2CNCCO2

InChI

InChI=1S/C13H19NO3/c1-2-15-12-5-3-4-6-13(12)17-10-11-9-14-7-8-16-11/h3-6,11,14H,2,7-10H2,1H3

InChIKey

YWPHCCPCQOJSGZ-UHFFFAOYSA-N

Compound name

2-[(2-ethoxyphenoxy)methyl]morpholine

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 300
References: 9007
Patents: 237.13649 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]+	238.14377	154.3
[M+Na]+	260.12571	158.6
[M-H]-	236.12921	157.7
[M+NH4]+	255.17031	168.1
[M+K]+	276.09965	157.1
[M+H-H2O]+	220.13375	145.9
[M+HCOO]-	282.13469	171.5
[M+CH3COO]-	296.15034	187.4
[M+Na-2H]-	258.11116	159.5
[M]+	237.13594	152.6
[M]-	237.13704	152.6

Literature stripe

literature stripe

Patent stripe

patents stripe