CID 5259590

Leucyl-glutamate

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
1
Annotation Hits

0
References

66
Patents

260.1372 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.144476 162.5
[M+Na]+ 283.126418 164.3
[M-H]- 259.129924 158.7
[M+NH4]+ 278.171023 176.1
[M+K]+ 299.100358 164.7
[M+H-H2O]+ 243.134460 156.2
[M+HCOO]- 305.135401 178.8
[M+CH3COO]- 319.151051 199.4
[M+Na-2H]- 281.111866 157.8
[M]+ 260.13665142 160.1
[M]- 260.13774858 160.1
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