CID 13704283

4-methylpiperazin-2-one

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: 1062
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	123.5
[M+Na]+	137.06853	134.5
[M+NH4]+	132.11314	131.3
[M+K]+	153.04247	129.2
[M-H]-	113.07204	123.5
[M+Na-2H]-	135.05398	128.2
[M]+	114.07877	124.8
[M]-	114.07986	124.8

Literature stripe

literature stripe

Patent stripe

patents stripe