CID 54758623

3-hydroxy-2,4-dioxopentyl phosphate(2-)

Structural Information

Molecular Formula
C5H9O7P
SMILES
CC(=O)C(C(=O)COP(=O)(O)O)O
InChI
InChI=1S/C5H9O7P/c1-3(6)5(8)4(7)2-12-13(9,10)11/h5,8H,2H2,1H3,(H2,9,10,11)
InChIKey
AKHNGSPNHAFBII-UHFFFAOYSA-N
Compound name
(3-hydroxy-2,4-dioxopentyl) dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

13
Patents

212.00859 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.01587 141.1
[M+Na]+ 234.99781 147.0
[M-H]- 211.00131 136.3
[M+NH4]+ 230.04241 157.7
[M+K]+ 250.97175 147.9
[M+H-H2O]+ 195.00585 134.8
[M+HCOO]- 257.00679 163.5
[M+CH3COO]- 271.02244 178.1
[M+Na-2H]- 232.98326 141.5
[M]+ 212.00804 143.5
[M]- 212.00914 143.5
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