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

32
Patents

184.12119 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.128466 143.2
[M+Na]+ 207.110408 149.8
[M-H]- 183.113914 141.1
[M+NH4]+ 202.155013 159.3
[M+K]+ 223.084348 146.8
[M+H-H2O]+ 167.118450 137.0
[M+HCOO]- 229.119391 157.5
[M+CH3COO]- 243.135041 179.4
[M+Na-2H]- 205.095856 144.0
[M]+ 184.12064142 138.1
[M]- 184.12173858 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.