CID 10219513

2-amino-5-hydroxy-4-oxopentanoic acid

Structural Information

Molecular Formula
C5H9NO4
SMILES
C(C(C(=O)O)N)C(=O)CO
InChI
InChI=1S/C5H9NO4/c6-4(5(9)10)1-3(8)2-7/h4,7H,1-2,6H2,(H,9,10)
InChIKey
FRTKOPTWTJLHNO-UHFFFAOYSA-N
Compound name
2-amino-5-hydroxy-4-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

23
References

45
Patents

147.05316 Da
Monoisotopic Mass

-4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.06044 130.0
[M+Na]+ 170.04238 136.1
[M+NH4]+ 165.08698 134.8
[M+K]+ 186.01632 135.1
[M-H]- 146.04588 126.3
[M+Na-2H]- 168.02783 130.0
[M]+ 147.05261 129.0
[M]- 147.05371 129.0
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