CID 90658227

5-amino-2,4,5-trioxopentanoate

Structural Information

Molecular Formula
C5H5NO5
SMILES
C(C(=O)C(=O)N)C(=O)C(=O)O
InChI
InChI=1S/C5H5NO5/c6-4(9)2(7)1-3(8)5(10)11/h1H2,(H2,6,9)(H,10,11)
InChIKey
AMHVRWYZYIMUFH-UHFFFAOYSA-N
Compound name
5-amino-2,4,5-trioxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

159.01677 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.02405 128.2
[M+Na]+ 182.00599 134.5
[M-H]- 158.00949 126.8
[M+NH4]+ 177.05059 147.0
[M+K]+ 197.97993 135.2
[M+H-H2O]+ 142.01403 123.3
[M+HCOO]- 204.01497 149.2
[M+CH3COO]- 218.03062 176.1
[M+Na-2H]- 179.99144 129.5
[M]+ 159.01622 127.1
[M]- 159.01732 127.1
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.