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

71
Patents

128.05858 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.065856 125.8
[M+Na]+ 151.047798 133.5
[M-H]- 127.051304 123.9
[M+NH4]+ 146.092403 143.9
[M+K]+ 167.021738 131.0
[M+H-H2O]+ 111.055840 119.9
[M+HCOO]- 173.056781 142.5
[M+CH3COO]- 187.072431 165.1
[M+Na-2H]- 149.033246 130.6
[M]+ 128.05803142 119.5
[M]- 128.05912858 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