CID 13704283

1-methyl-3-oxopiperazine

Structural Information

Molecular Formula

C₅H₁₀N₂O

SMILES

CN1CCNC(=O)C1

InChI

InChI=1S/C5H10N2O/c1-7-3-2-6-5(8)4-7/h2-4H2,1H3,(H,6,8)

InChIKey

KVIZTDNKHOCNAM-UHFFFAOYSA-N

Compound name

4-methylpiperazin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1794
Patents: 114.079315 Da
Monoisotopic Mass: -0.6
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]+	115.08659	123.4
[M+Na]+	137.06853	130.2
[M-H]-	113.07204	122.5
[M+NH4]+	132.11314	142.6
[M+K]+	153.04247	128.9
[M+H-H2O]+	97.076575	117.0
[M+HCOO]-	159.07752	141.2
[M+CH3COO]-	173.09317	165.3
[M+Na-2H]-	135.05398	129.5
[M]+	114.07877	117.8
[M]-	114.07986	117.8

Literature stripe

literature stripe

Patent stripe

patents stripe