CID 92448855

Cyclo(d-ile-l-leu)

Structural Information

Molecular Formula
C12H22N2O2
SMILES
CC[C@H](C)[C@H]1C(=O)N[C@@H](C(=O)N1)CC(C)C
InChI
InChI=1S/C12H22N2O2/c1-5-8(4)10-12(16)13-9(6-7(2)3)11(15)14-10/h7-10H,5-6H2,1-4H3,(H,13,16)(H,14,15)/t8-,9+,10-/m0/s1
InChIKey
CCMDAWLYCNFDFN-AEJSXWLSSA-N
Compound name
(3S,6R)-3-[(2S)-butan-2-yl]-6-(2-methylpropyl)piperazine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.