CID 240828

6641-44-7

Structural Information

Molecular Formula

C₁₂H₁₂ClN₃O

SMILES

C1COCCN1C2=NC3=CC=CC=C3N=C2Cl

InChI

InChI=1S/C12H12ClN3O/c13-11-12(16-5-7-17-8-6-16)15-10-4-2-1-3-9(10)14-11/h1-4H,5-8H2

InChIKey

FMGODTXGSITMNK-UHFFFAOYSA-N

Compound name

4-(3-chloroquinoxalin-2-yl)morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 249.0669 Da
Monoisotopic Mass: 2.3
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]+	250.07418	154.0
[M+Na]+	272.05612	162.5
[M-H]-	248.05962	157.1
[M+NH4]+	267.10072	167.2
[M+K]+	288.03006	158.2
[M+H-H2O]+	232.06416	144.1
[M+HCOO]-	294.06510	164.9
[M+CH3COO]-	308.08075	164.9
[M+Na-2H]-	270.04157	161.5
[M]+	249.06635	153.0
[M]-	249.06745	153.0

Literature stripe

literature stripe

Patent stripe

patents stripe