CID 192731

Cyclo(l-leucyl-l-leucyl)

Structural Information

Molecular Formula
C12H22N2O2
SMILES
CC(C)C[C@H]1C(=O)N[C@H](C(=O)N1)CC(C)C
InChI
InChI=1S/C12H22N2O2/c1-7(2)5-9-11(15)14-10(6-8(3)4)12(16)13-9/h7-10H,5-6H2,1-4H3,(H,13,16)(H,14,15)/t9-,10-/m0/s1
InChIKey
XWYXUMDVQIOAPR-UWVGGRQHSA-N
Compound name
(3S,6S)-3,6-bis(2-methylpropyl)piperazine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

40
Patents

226.16812 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.175396 156.1
[M+Na]+ 249.157338 161.3
[M-H]- 225.160844 153.6
[M+NH4]+ 244.201943 170.6
[M+K]+ 265.131278 158.1
[M+H-H2O]+ 209.165380 149.6
[M+HCOO]- 271.166321 168.5
[M+CH3COO]- 285.181971 189.4
[M+Na-2H]- 247.142786 154.3
[M]+ 226.16757142 151.5
[M]- 226.16866858 151.5
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