CID 207491

Ll 1540

Structural Information

Molecular Formula

C₁₄H₂₁NO₄

SMILES

COC1=CC(=CC(=C1)OCCN2CCOCC2)OC

InChI

InChI=1S/C14H21NO4/c1-16-12-9-13(17-2)11-14(10-12)19-8-5-15-3-6-18-7-4-15/h9-11H,3-8H2,1-2H3

InChIKey

XGVKCQRVDAKOJO-UHFFFAOYSA-N

Compound name

4-[2-(3,5-dimethoxyphenoxy)ethyl]morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 267.14706 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]+	268.15434	161.3
[M+Na]+	290.13628	166.4
[M-H]-	266.13978	166.3
[M+NH4]+	285.18088	174.8
[M+K]+	306.11022	166.3
[M+H-H2O]+	250.14432	152.5
[M+HCOO]-	312.14526	179.9
[M+CH3COO]-	326.16091	196.2
[M+Na-2H]-	288.12173	165.8
[M]+	267.14651	163.7
[M]-	267.14761	163.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe