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]+ 231.026426 147.4
[M+Na]+ 253.008368 152.5
[M-H]- 229.011874 139.7
[M+NH4]+ 248.052973 161.8
[M+K]+ 268.982308 152.4
[M+H-H2O]+ 213.016410 141.3
[M+HCOO]- 275.017351 166.9
[M+CH3COO]- 289.033001 175.6
[M+Na-2H]- 250.993816 150.5
[M]+ 230.01860142 148.6
[M]- 230.01969858 148.6
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.