CID 25220884

15136-24-0

Structural Information

Molecular Formula
C11H20N2O2
SMILES
CC(C)C[C@H]1C(=O)N[C@H](C(=O)N1)C(C)C
InChI
InChI=1S/C11H20N2O2/c1-6(2)5-8-10(14)13-9(7(3)4)11(15)12-8/h6-9H,5H2,1-4H3,(H,12,15)(H,13,14)/t8-,9-/m0/s1
InChIKey
UPOUGDHEEGKEGS-IUCAKERBSA-N
Compound name
(3S,6S)-3-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

12
Patents

212.15248 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.159756 151.7
[M+Na]+ 235.141698 157.2
[M-H]- 211.145204 149.3
[M+NH4]+ 230.186303 166.7
[M+K]+ 251.115638 154.3
[M+H-H2O]+ 195.149740 145.3
[M+HCOO]- 257.150681 164.4
[M+CH3COO]- 271.166331 186.4
[M+Na-2H]- 233.127146 150.3
[M]+ 212.15193142 146.7
[M]- 212.15302858 146.7
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