CID 13879945

125410-18-6

Structural Information

Molecular Formula
C9H16N2O2
SMILES
C[C@@H]1C(=O)N[C@H](C(=O)N1)CC(C)C
InChI
InChI=1S/C9H16N2O2/c1-5(2)4-7-9(13)10-6(3)8(12)11-7/h5-7H,4H2,1-3H3,(H,10,13)(H,11,12)/t6-,7+/m1/s1
InChIKey
DBJPZCJQDRPOME-RQJHMYQMSA-N
Compound name
(3R,6S)-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

41
Patents

184.12119 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.12847 143.2
[M+Na]+ 207.11041 149.8
[M-H]- 183.11391 141.1
[M+NH4]+ 202.15501 159.3
[M+K]+ 223.08435 146.8
[M+H-H2O]+ 167.11845 137.0
[M+HCOO]- 229.11939 157.5
[M+CH3COO]- 243.13504 179.4
[M+Na-2H]- 205.09586 144.0
[M]+ 184.12064 138.1
[M]- 184.12174 138.1
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

No patent data available for this compound.