CID 72761

Piperazine-2,3-dione

Structural Information

Molecular Formula

C₄H₆N₂O₂

SMILES

C1CNC(=O)C(=O)N1

InChI

InChI=1S/C4H6N2O2/c7-3-4(8)6-2-1-5-3/h1-2H2,(H,5,7)(H,6,8)

InChIKey

JTHRRMFZHSDGNJ-UHFFFAOYSA-N

Compound name

piperazine-2,3-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 40
References: 20792
Patents: 114.04293 Da
Monoisotopic Mass: -1.0
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]+	115.050206	121.5
[M+Na]+	137.032148	128.6
[M-H]-	113.035654	119.4
[M+NH4]+	132.076753	139.9
[M+K]+	153.006088	126.4
[M+H-H2O]+	97.040190	115.5
[M+HCOO]-	159.041131	138.5
[M+CH3COO]-	173.056781	160.9
[M+Na-2H]-	135.017596	127.6
[M]+	114.04238142	114.4
[M]-	114.04347858	114.4

Literature stripe

literature stripe

Patent stripe

patents stripe