CID 138911155

Chebi:144617

Structural Information

Molecular Formula
C10H20N2O5
SMILES
C(CCNCC(=O)[C@@H](CO)O)C[C@@H](C(=O)O)N
InChI
InChI=1S/C10H20N2O5/c11-7(10(16)17)3-1-2-4-12-5-8(14)9(15)6-13/h7,9,12-13,15H,1-6,11H2,(H,16,17)/t7-,9+/m0/s1
InChIKey
BQEYSITZFSTDJF-IONNQARKSA-N
Compound name
(2S)-2-amino-6-[[(3R)-3,4-dihydroxy-2-oxobutyl]amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.13722 Da
Monoisotopic Mass

-4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.14450 158.6
[M+Na]+ 271.12644 160.3
[M-H]- 247.12994 153.3
[M+NH4]+ 266.17104 172.0
[M+K]+ 287.10038 159.6
[M+H-H2O]+ 231.13448 152.1
[M+HCOO]- 293.13542 175.4
[M+CH3COO]- 307.15107 193.6
[M+Na-2H]- 269.11189 156.3
[M]+ 248.13667 156.0
[M]- 248.13777 156.0
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.