CID 217171

38221-40-8

Structural Information

Molecular Formula

C₁₀H₁₇N₃O₂

SMILES

CN1CCN(CC1)CN2C(=O)CCC2=O

InChI

InChI=1S/C10H17N3O2/c1-11-4-6-12(7-5-11)8-13-9(14)2-3-10(13)15/h2-8H2,1H3

InChIKey

KBYIGOZJUBSJGO-UHFFFAOYSA-N

Compound name

1-[(4-methylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 211.13208 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]+	212.13936	149.6
[M+Na]+	234.12130	156.0
[M-H]-	210.12480	151.5
[M+NH4]+	229.16590	165.9
[M+K]+	250.09524	153.8
[M+H-H2O]+	194.12934	141.0
[M+HCOO]-	256.13028	165.6
[M+CH3COO]-	270.14593	185.8
[M+Na-2H]-	232.10675	149.7
[M]+	211.13153	145.0
[M]-	211.13263	145.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.