CID 108812

59702-31-7

Structural Information

Molecular Formula

C₆H₁₀N₂O₂

SMILES

CCN1CCNC(=O)C1=O

InChI

InChI=1S/C6H10N2O2/c1-2-8-4-3-7-5(9)6(8)10/h2-4H2,1H3,(H,7,9)

InChIKey

ZBEKOEYCWKIMGU-UHFFFAOYSA-N

Compound name

1-ethylpiperazine-2,3-dione

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 4
References: 457
Patents: 142.07423 Da
Monoisotopic Mass: -0.4
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]+	143.081506	129.1
[M+Na]+	165.063448	136.8
[M-H]-	141.066954	128.5
[M+NH4]+	160.108053	147.4
[M+K]+	181.037388	135.0
[M+H-H2O]+	125.071490	122.8
[M+HCOO]-	187.072431	147.0
[M+CH3COO]-	201.088081	170.7
[M+Na-2H]-	163.048896	134.0
[M]+	142.07368142	125.1
[M]-	142.07477858	125.1

Literature stripe

literature stripe

Patent stripe

patents stripe