CID 9856500

Glu-leu

Structural Information

Molecular Formula
C11H20N2O5
SMILES
CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)O)N
InChI
InChI=1S/C11H20N2O5/c1-6(2)5-8(11(17)18)13-10(16)7(12)3-4-9(14)15/h6-8H,3-5,12H2,1-2H3,(H,13,16)(H,14,15)(H,17,18)/t7-,8-/m0/s1
InChIKey
YBAFDPFAUTYYRW-YUMQZZPRSA-N
Compound name
(2S)-2-[[(2S)-2-amino-4-carboxybutanoyl]amino]-4-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

6420
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 162.5
[M+Na]+ 283.12642 164.3
[M-H]- 259.12992 158.7
[M+NH4]+ 278.17102 176.1
[M+K]+ 299.10036 164.7
[M+H-H2O]+ 243.13446 156.2
[M+HCOO]- 305.13540 178.8
[M+CH3COO]- 319.15105 199.4
[M+Na-2H]- 281.11187 157.8
[M]+ 260.13665 160.1
[M]- 260.13775 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.