CID 23183013

3-methylpiperazine-2,6-dione

Structural Information

Molecular Formula
C5H8N2O2
SMILES
CC1C(=O)NC(=O)CN1
InChI
InChI=1S/C5H8N2O2/c1-3-5(9)7-4(8)2-6-3/h3,6H,2H2,1H3,(H,7,8,9)
InChIKey
XNJHLZCLSPEUJN-UHFFFAOYSA-N
Compound name
3-methylpiperazine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

128.05858 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.06586 125.8
[M+Na]+ 151.04780 133.5
[M-H]- 127.05130 123.9
[M+NH4]+ 146.09240 143.9
[M+K]+ 167.02174 131.0
[M+H-H2O]+ 111.05584 119.9
[M+HCOO]- 173.05678 142.5
[M+CH3COO]- 187.07243 165.1
[M+Na-2H]- 149.03325 130.6
[M]+ 128.05803 119.5
[M]- 128.05913 119.5
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

patents stripe