CID 72761

Piperazine-2,3-dione

Structural Information

Molecular Formula
C4H6N2O2
SMILES
C1CNC(=O)C(=O)N1
InChI
InChI=1S/C4H6N2O2/c7-3-4(8)6-2-1-5-3/h1-2H2,(H,5,7)(H,6,8)
InChIKey
JTHRRMFZHSDGNJ-UHFFFAOYSA-N
Compound name
piperazine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

40
References

20648
Patents

114.04293 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.05021 121.5
[M+Na]+ 137.03215 128.6
[M-H]- 113.03565 119.4
[M+NH4]+ 132.07675 139.9
[M+K]+ 153.00609 126.4
[M+H-H2O]+ 97.040190 115.5
[M+HCOO]- 159.04113 138.5
[M+CH3COO]- 173.05678 160.9
[M+Na-2H]- 135.01760 127.6
[M]+ 114.04238 114.4
[M]- 114.04348 114.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.