CID 135418934

19810-74-3

Structural Information

Molecular Formula

C₉H₁₃N₃O₂

SMILES

CC1=CC(=O)NC(=N1)N2CCOCC2

InChI

InChI=1S/C9H13N3O2/c1-7-6-8(13)11-9(10-7)12-2-4-14-5-3-12/h6H,2-5H2,1H3,(H,10,11,13)

InChIKey

PVVUPAOPPVSPAB-UHFFFAOYSA-N

Compound name

4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 2
Patents: 195.10077 Da
Monoisotopic Mass: -0.7
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]+	196.10805	142.7
[M+Na]+	218.08999	155.9
[M+NH4]+	213.13459	149.6
[M+K]+	234.06393	150.6
[M-H]-	194.09349	145.5
[M+Na-2H]-	216.07544	148.9
[M]+	195.10022	145.2
[M]-	195.10132	145.2

Literature stripe

literature stripe

Patent stripe

patents stripe