CID 13125044

3,5,6-trimethylpiperazin-2-one

Structural Information

Molecular Formula

C₇H₁₄N₂O

SMILES

CC1C(NC(=O)C(N1)C)C

InChI

InChI=1S/C7H14N2O/c1-4-5(2)9-7(10)6(3)8-4/h4-6,8H,1-3H3,(H,9,10)

InChIKey

LMUBSPZMKUPTFS-UHFFFAOYSA-N

Compound name

3,5,6-trimethylpiperazin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 142.11061 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]+	143.11789	132.4
[M+Na]+	165.09983	143.1
[M+NH4]+	160.14443	139.5
[M+K]+	181.07377	138.1
[M-H]-	141.10333	131.9
[M+Na-2H]-	163.08528	135.4
[M]+	142.11006	133.4
[M]-	142.11116	133.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe