CID 63601219

1,3-diethylpiperazin-2-one

Structural Information

Molecular Formula

C₈H₁₆N₂O

SMILES

CCC1C(=O)N(CCN1)CC

InChI

InChI=1S/C8H16N2O/c1-3-7-8(11)10(4-2)6-5-9-7/h7,9H,3-6H2,1-2H3

InChIKey

PAJMMWJDTTVBSJ-UHFFFAOYSA-N

Compound name

1,3-diethylpiperazin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 156.12627 Da
Monoisotopic Mass: 0.4
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]+	157.13355	136.5
[M+Na]+	179.11549	147.2
[M+NH4]+	174.16009	143.8
[M+K]+	195.08943	141.5
[M-H]-	155.11899	136.5
[M+Na-2H]-	177.10094	140.1
[M]+	156.12572	137.7
[M]-	156.12682	137.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.