CID 23545909

3,4-dimethylpiperazin-2-one

Structural Information

Molecular Formula

C₆H₁₂N₂O

SMILES

CC1C(=O)NCCN1C

InChI

InChI=1S/C6H12N2O/c1-5-6(9)7-3-4-8(5)2/h5H,3-4H2,1-2H3,(H,7,9)

InChIKey

ZABGQRMKTCBTIT-UHFFFAOYSA-N

Compound name

3,4-dimethylpiperazin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
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	127.7
[M+Na]+	151.08418	138.8
[M+NH4]+	146.12878	135.3
[M+K]+	167.05812	133.5
[M-H]-	127.08768	127.7
[M+Na-2H]-	149.06963	131.9
[M]+	128.09441	129.0
[M]-	128.09551	129.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe