CID 3042434

2,3-piperazinedione, 1-propyl-

Structural Information

Molecular Formula

C₇H₁₂N₂O₂

SMILES

CCCN1CCNC(=O)C1=O

InChI

InChI=1S/C7H12N2O2/c1-2-4-9-5-3-8-6(10)7(9)11/h2-5H2,1H3,(H,8,10)

InChIKey

JZOCKFYENIIGQF-UHFFFAOYSA-N

Compound name

1-propylpiperazine-2,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 156.08987 Da
Monoisotopic Mass: 0.1
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]+	157.09715	134.4
[M+Na]+	179.07909	144.9
[M+NH4]+	174.12369	141.0
[M+K]+	195.05303	139.8
[M-H]-	155.08259	133.6
[M+Na-2H]-	177.06454	137.7
[M]+	156.08932	135.3
[M]-	156.09042	135.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe