CID 108812

1-ethylpiperazine-2,3-dione

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
2
Annotation Hits

4
References

385
Patents

142.07423 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.08151 129.1
[M+Na]+ 165.06345 136.8
[M-H]- 141.06695 128.5
[M+NH4]+ 160.10805 147.4
[M+K]+ 181.03739 135.0
[M+H-H2O]+ 125.07149 122.8
[M+HCOO]- 187.07243 147.0
[M+CH3COO]- 201.08808 170.7
[M+Na-2H]- 163.04890 134.0
[M]+ 142.07368 125.1
[M]- 142.07478 125.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe