CID 122454041

3-(piperazin-1-yl)pyrrolidin-2-one dihydrochloride

Structural Information

Molecular Formula

C₈H₁₅N₃O

SMILES

C1CNC(=O)C1N2CCNCC2

InChI

InChI=1S/C8H15N3O/c12-8-7(1-2-10-8)11-5-3-9-4-6-11/h7,9H,1-6H2,(H,10,12)

InChIKey

YRZKUGKRJMSWSX-UHFFFAOYSA-N

Compound name

3-piperazin-1-ylpyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 169.1215 Da
Monoisotopic Mass: -0.9
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]+	170.128776	140.6
[M+Na]+	192.110718	144.8
[M-H]-	168.114224	139.2
[M+NH4]+	187.155323	156.6
[M+K]+	208.084658	141.6
[M+H-H2O]+	152.118760	132.1
[M+HCOO]-	214.119701	153.8
[M+CH3COO]-	228.135351	150.3
[M+Na-2H]-	190.096166	142.1
[M]+	169.12095142	130.0
[M]-	169.12204858	130.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe