CID 4712457

3-ethylpiperazin-2-one

Structural Information

Molecular Formula

C₆H₁₂N₂O

SMILES

CCC1C(=O)NCCN1

InChI

InChI=1S/C6H12N2O/c1-2-5-6(9)8-4-3-7-5/h5,7H,2-4H2,1H3,(H,8,9)

InChIKey

BAOOEQIOVFBREJ-UHFFFAOYSA-N

Compound name

3-ethylpiperazin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 54
Patents: 128.09496 Da
Monoisotopic Mass: -0.2
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]+	129.10224	128.3
[M+Na]+	151.08418	138.5
[M+NH4]+	146.12878	135.6
[M+K]+	167.05812	133.3
[M-H]-	127.08768	127.8
[M+Na-2H]-	149.06963	132.1
[M]+	128.09441	129.2
[M]-	128.09551	129.2

Literature stripe

literature stripe

Patent stripe

patents stripe