CID 439402

5-amino-2-oxopentanoic acid

Structural Information

Molecular Formula
C5H9NO3
SMILES
C(CC(=O)C(=O)O)CN
InChI
InChI=1S/C5H9NO3/c6-3-1-2-4(7)5(8)9/h1-3,6H2,(H,8,9)
InChIKey
BWHGMFYTDQEALD-UHFFFAOYSA-N
Compound name
5-amino-2-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

123
Patents

131.05824 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.06552 126.5
[M+Na]+ 154.04746 134.0
[M+NH4]+ 149.09206 132.4
[M+K]+ 170.02140 131.3
[M-H]- 130.05096 124.1
[M+Na-2H]- 152.03291 128.0
[M]+ 131.05769 126.3
[M]- 131.05879 126.3
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

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