CID 87383073

2-keto-4-hydroxy-5-phosphopentanoate

Structural Information

Molecular Formula
C5H9O7P
SMILES
C(C(CP(=O)(O)O)O)C(=O)C(=O)O
InChI
InChI=1S/C5H9O7P/c6-3(2-13(10,11)12)1-4(7)5(8)9/h3,6H,1-2H2,(H,8,9)(H2,10,11,12)
InChIKey
FHTJZANAUHFQCD-UHFFFAOYSA-N
Compound name
4-hydroxy-2-oxo-5-phosphonopentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

7
Patents

212.00859 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.01587 142.5
[M+Na]+ 234.99781 147.9
[M-H]- 211.00131 136.2
[M+NH4]+ 230.04241 158.3
[M+K]+ 250.97175 147.9
[M+H-H2O]+ 195.00585 136.3
[M+HCOO]- 257.00679 163.3
[M+CH3COO]- 271.02244 175.9
[M+Na-2H]- 232.98326 142.2
[M]+ 212.00804 142.8
[M]- 212.00914 142.8
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