CID 211157

3,3-dimethylpiperazin-2-one

Structural Information

Molecular Formula

C₆H₁₂N₂O

SMILES

CC1(C(=O)NCCN1)C

InChI

InChI=1S/C6H12N2O/c1-6(2)5(9)7-3-4-8-6/h8H,3-4H2,1-2H3,(H,7,9)

InChIKey

ZBFIRYWCOIYJDA-UHFFFAOYSA-N

Compound name

3,3-dimethylpiperazin-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 370
Patents: 128.09496 Da
Monoisotopic Mass: -0.5
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	128.4
[M+Na]+	151.08418	138.8
[M+NH4]+	146.12878	137.2
[M+K]+	167.05812	131.9
[M-H]-	127.08768	127.9
[M+Na-2H]-	149.06963	133.8
[M]+	128.09441	129.5
[M]-	128.09551	129.5

Literature stripe

literature stripe

Patent stripe

patents stripe