CID 168007682

Chebi:195195

Structural Information

Molecular Formula
C5H9O6P
SMILES
C([C@H](/C=C/C=O)O)OP(=O)(O)O
InChI
InChI=1S/C5H9O6P/c6-3-1-2-5(7)4-11-12(8,9)10/h1-3,5,7H,4H2,(H2,8,9,10)/b2-1+/t5-/m0/s1
InChIKey
XGGCBXHNTNZKEL-WYPBCBNTSA-N
Compound name
[(E,2S)-2-hydroxy-5-oxopent-3-enyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.01367 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.020946 140.3
[M+Na]+ 219.002888 146.9
[M-H]- 195.006394 135.4
[M+NH4]+ 214.047493 157.9
[M+K]+ 234.976828 146.0
[M+H-H2O]+ 179.010930 134.0
[M+HCOO]- 241.011871 164.4
[M+CH3COO]- 255.027521 173.4
[M+Na-2H]- 216.988336 142.7
[M]+ 196.01312142 142.4
[M]- 196.01421858 142.4
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.