CID 124723

4-methylpiperazine-2,6-dione

Structural Information

Molecular Formula
C5H8N2O2
SMILES
CN1CC(=O)NC(=O)C1
InChI
InChI=1S/C5H8N2O2/c1-7-2-4(8)6-5(9)3-7/h2-3H2,1H3,(H,6,8,9)
InChIKey
KZVYITBTXCMVDP-UHFFFAOYSA-N
Compound name
4-methylpiperazine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

112
Patents

128.05858 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.06586 124.6
[M+Na]+ 151.04780 132.7
[M-H]- 127.05130 124.1
[M+NH4]+ 146.09240 143.5
[M+K]+ 167.02174 131.1
[M+H-H2O]+ 111.05584 118.5
[M+HCOO]- 173.05678 142.8
[M+CH3COO]- 187.07243 167.6
[M+Na-2H]- 149.03325 130.0
[M]+ 128.05803 120.2
[M]- 128.05913 120.2
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