CID 97704

3,6-dimethylpiperazine-2,5-dione

Structural Information

Molecular Formula
C6H10N2O2
SMILES
CC1C(=O)NC(C(=O)N1)C
InChI
InChI=1S/C6H10N2O2/c1-3-5(9)8-4(2)6(10)7-3/h3-4H,1-2H3,(H,7,10)(H,8,9)
InChIKey
WWISPHBAYBECQZ-UHFFFAOYSA-N
Compound name
3,6-dimethylpiperazine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

298
Patents

142.07423 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.08151 130.0
[M+Na]+ 165.06345 138.2
[M-H]- 141.06695 128.3
[M+NH4]+ 160.10805 147.9
[M+K]+ 181.03739 135.4
[M+H-H2O]+ 125.07149 124.2
[M+HCOO]- 187.07243 146.3
[M+CH3COO]- 201.08808 169.4
[M+Na-2H]- 163.04890 133.6
[M]+ 142.07368 124.5
[M]- 142.07478 124.5
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