CID 128597

Chebi:57889

Structural Information

Molecular Formula
C8H16N2O4
SMILES
C[C@@H](C(=O)O)NCCC[C@@H](C(=O)O)N
InChI
InChI=1S/C8H16N2O4/c1-5(7(11)12)10-4-2-3-6(9)8(13)14/h5-6,10H,2-4,9H2,1H3,(H,11,12)(H,13,14)/t5-,6-/m0/s1
InChIKey
DEGCDQUOHKYOQM-WDSKDSINSA-N
Compound name
(2S)-2-amino-5-[[(1S)-1-carboxyethyl]amino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

4
Patents

204.11101 Da
Monoisotopic Mass

-5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.11829 146.9
[M+Na]+ 227.10023 150.7
[M+NH4]+ 222.14483 150.5
[M+K]+ 243.07417 150.3
[M-H]- 203.10373 143.0
[M+Na-2H]- 225.08568 145.4
[M]+ 204.11046 145.4
[M]- 204.11156 145.4
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

No patent data available for this compound.