CID 5259590

Leu-glu

Structural Information

Molecular Formula
C11H20N2O5
SMILES
CC(C)CC(C(=O)NC(CCC(=O)O)C(=O)O)N
InChI
InChI=1S/C11H20N2O5/c1-6(2)5-7(12)10(16)13-8(11(17)18)3-4-9(14)15/h6-8H,3-5,12H2,1-2H3,(H,13,16)(H,14,15)(H,17,18)
InChIKey
NFNVDJGXRFEYTK-UHFFFAOYSA-N
Compound name
2-[(2-amino-4-methylpentanoyl)amino]pentanedioic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

6031
Patents

260.1372 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.14448 161.5
[M+Na]+ 283.12642 163.7
[M+NH4]+ 278.17102 163.5
[M+K]+ 299.10036 164.6
[M-H]- 259.12992 156.2
[M+Na-2H]- 281.11187 158.1
[M]+ 260.13665 159.2
[M]- 260.13775 159.2
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

patents stripe