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 147.4
[M+Na]+ 253.00837 152.5
[M-H]- 229.01187 139.7
[M+NH4]+ 248.05297 161.8
[M+K]+ 268.98231 152.4
[M+H-H2O]+ 213.01641 141.3
[M+HCOO]- 275.01735 166.9
[M+CH3COO]- 289.03300 175.6
[M+Na-2H]- 250.99382 150.5
[M]+ 230.01860 148.6
[M]- 230.01970 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.