CID 21891460

3-(morpholin-4-yl)-1,2,5,6-tetrahydropyridin-2-one

Structural Information

Molecular Formula

C₉H₁₄N₂O₂

SMILES

C1CNC(=O)C(=C1)N2CCOCC2

InChI

InChI=1S/C9H14N2O2/c12-9-8(2-1-3-10-9)11-4-6-13-7-5-11/h2H,1,3-7H2,(H,10,12)

InChIKey

SRICXDSOENVWEU-UHFFFAOYSA-N

Compound name

5-morpholin-4-yl-2,3-dihydro-1H-pyridin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 97
Patents: 182.10553 Da
Monoisotopic Mass: 0.1
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]+	183.11281	140.7
[M+Na]+	205.09475	145.1
[M-H]-	181.09825	142.7
[M+NH4]+	200.13935	155.2
[M+K]+	221.06869	143.7
[M+H-H2O]+	165.10279	132.4
[M+HCOO]-	227.10373	155.0
[M+CH3COO]-	241.11938	176.0
[M+Na-2H]-	203.08020	145.8
[M]+	182.10498	133.2
[M]-	182.10608	133.2

Literature stripe

literature stripe

Patent stripe

patents stripe