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: 9
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]+	157.097146	133.6
[M+Na]+	179.079088	140.8
[M-H]-	155.082594	132.8
[M+NH4]+	174.123693	151.3
[M+K]+	195.053028	138.8
[M+H-H2O]+	139.087130	127.1
[M+HCOO]-	201.088071	151.2
[M+CH3COO]-	215.103721	173.7
[M+Na-2H]-	177.064536	137.9
[M]+	156.08932142	129.9
[M]-	156.09041858	129.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe