CID 97704

3,6-dimethylpiperazine-2,5-dione

Structural Information

Molecular Formula

C₆H₁₀N₂O₂

SMILES

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

InChI

InChI=1S/C6H10N2O2/c1-3-5(9)8-4(2)6(10)7-3/h3-4H,1-2H3,(H,7,10)(H,8,9)

InChIKey

WWISPHBAYBECQZ-UHFFFAOYSA-N

Compound name

3,6-dimethylpiperazine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 294
Patents: 142.07423 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]+	143.08151	130.3
[M+Na]+	165.06345	140.8
[M+NH4]+	160.10805	136.7
[M+K]+	181.03739	136.5
[M-H]-	141.06695	129.1
[M+Na-2H]-	163.04890	133.0
[M]+	142.07368	131.0
[M]-	142.07478	131.0

Literature stripe

literature stripe

Patent stripe

patents stripe