CID 70698336

(4s)-4-hydroxy-2,3-pentanedione 5-phosphate

Structural Information

Molecular Formula
C5H9O7P
SMILES
CC(=O)C(=O)[C@H](COP(=O)(O)O)O
InChI
InChI=1S/C5H9O7P/c1-3(6)5(8)4(7)2-12-13(9,10)11/h4,7H,2H2,1H3,(H2,9,10,11)/t4-/m0/s1
InChIKey
DTZHMTDUIGHESZ-BYPYZUCNSA-N
Compound name
[(2S)-2-hydroxy-3,4-dioxopentyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
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 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

No literature data available for this compound.

Patent stripe

patents stripe