CID 134692091

Apulose 4-phosphate

Structural Information

Molecular Formula
C5H11O8P
SMILES
C(C(=O)C(CO)(COP(=O)(O)O)O)O
InChI
InChI=1S/C5H11O8P/c6-1-4(8)5(9,2-7)3-13-14(10,11)12/h6-7,9H,1-3H2,(H2,10,11,12)
InChIKey
ICOBPPWZFJRDGN-UHFFFAOYSA-N
Compound name
[2,4-dihydroxy-2-(hydroxymethyl)-3-oxobutyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

230.01915 Da
Monoisotopic Mass

-4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.02643 145.8
[M+Na]+ 253.00837 149.2
[M+NH4]+ 248.05297 147.1
[M+K]+ 268.98231 151.6
[M-H]- 229.01187 137.1
[M+Na-2H]- 250.99382 142.7
[M]+ 230.01860 142.8
[M]- 230.01970 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.