CID 322983

1,4-dimethylpiperazine-2,3-dione

Structural Information

Molecular Formula
C6H10N2O2
SMILES
CN1CCN(C(=O)C1=O)C
InChI
InChI=1S/C6H10N2O2/c1-7-3-4-8(2)6(10)5(7)9/h3-4H2,1-2H3
InChIKey
WWBHDWHAIVWDMT-UHFFFAOYSA-N
Compound name
1,4-dimethylpiperazine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

204
Patents

142.07423 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.08151 127.4
[M+Na]+ 165.06345 136.5
[M-H]- 141.06695 128.6
[M+NH4]+ 160.10805 146.8
[M+K]+ 181.03739 135.6
[M+H-H2O]+ 125.07149 121.2
[M+HCOO]- 187.07243 146.8
[M+CH3COO]- 201.08808 174.5
[M+Na-2H]- 163.04890 132.2
[M]+ 142.07368 125.7
[M]- 142.07478 125.7
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