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]+ 197.02095 140.3
[M+Na]+ 219.00289 146.9
[M-H]- 195.00639 135.4
[M+NH4]+ 214.04749 157.9
[M+K]+ 234.97683 146.0
[M+H-H2O]+ 179.01093 134.0
[M+HCOO]- 241.01187 164.4
[M+CH3COO]- 255.02752 173.4
[M+Na-2H]- 216.98834 142.7
[M]+ 196.01312 142.4
[M]- 196.01422 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.