CID 20542556

Refchem:532289

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

131.05824 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.065516 126.2
[M+Na]+ 154.047458 132.6
[M-H]- 130.050964 124.7
[M+NH4]+ 149.092063 146.7
[M+K]+ 170.021398 132.4
[M+H-H2O]+ 114.055500 121.4
[M+HCOO]- 176.056441 148.3
[M+CH3COO]- 190.072091 171.5
[M+Na-2H]- 152.032906 129.8
[M]+ 131.05769142 124.9
[M]- 131.05878858 124.9
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

patents stripe