CID 962643

84594-64-9

Structural Information

Molecular Formula

C₁₃H₁₃ClN₂O

SMILES

C1COCCN1C2=C3C=CC(=CC3=NC=C2)Cl

InChI

InChI=1S/C13H13ClN2O/c14-10-1-2-11-12(9-10)15-4-3-13(11)16-5-7-17-8-6-16/h1-4,9H,5-8H2

InChIKey

KWLAFRCMKAMRKK-UHFFFAOYSA-N

Compound name

4-(7-chloroquinolin-4-yl)morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 0
Patents: 248.07164 Da
Monoisotopic Mass: 2.7
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]+	249.07892	153.7
[M+Na]+	271.06086	170.2
[M+NH4]+	266.10546	163.6
[M+K]+	287.03480	161.4
[M-H]-	247.06436	159.7
[M+Na-2H]-	269.04631	162.1
[M]+	248.07109	158.2
[M]-	248.07219	158.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.