CID 927723

5845-67-0

Structural Information

Molecular Formula
C8H14N2O2
SMILES
CC(C)C[C@H]1C(=O)NCC(=O)N1
InChI
InChI=1S/C8H14N2O2/c1-5(2)3-6-8(12)9-4-7(11)10-6/h5-6H,3-4H2,1-2H3,(H,9,12)(H,10,11)/t6-/m0/s1
InChIKey
VQFHWKRNHGHZTK-LURJTMIESA-N
Compound name
(3S)-3-(2-methylpropyl)piperazine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

51
References

164
Patents

170.10553 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.11281 139.2
[M+Na]+ 193.09475 148.5
[M+NH4]+ 188.13935 145.1
[M+K]+ 209.06869 144.4
[M-H]- 169.09825 137.6
[M+Na-2H]- 191.08020 141.2
[M]+ 170.10498 139.6
[M]- 170.10608 139.6
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