CID 484685

Leucyl-l-leucinal

Structural Information

Molecular Formula
C12H24N2O2
SMILES
CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)N
InChI
InChI=1S/C12H24N2O2/c1-8(2)5-10(7-15)14-12(16)11(13)6-9(3)4/h7-11H,5-6,13H2,1-4H3,(H,14,16)/t10-,11-/m0/s1
InChIKey
UJGYSOUSSLZXIH-QWRGUYRKSA-N
Compound name
(2S)-2-amino-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

61
Patents

228.18378 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.19106 160.6
[M+Na]+ 251.17300 163.1
[M-H]- 227.17650 159.6
[M+NH4]+ 246.21760 177.5
[M+K]+ 267.14694 163.2
[M+H-H2O]+ 211.18104 154.3
[M+HCOO]- 273.18198 179.7
[M+CH3COO]- 287.19763 200.4
[M+Na-2H]- 249.15845 157.3
[M]+ 228.18323 159.5
[M]- 228.18433 159.5
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