CID 131752985

2-carboxyarabinitol 5-phosphate

Structural Information

Molecular Formula
C6H13O10P
SMILES
C(C(C(C(CO)(C(=O)O)O)O)O)OP(=O)(O)O
InChI
InChI=1S/C6H13O10P/c7-2-6(12,5(10)11)4(9)3(8)1-16-17(13,14)15/h3-4,7-9,12H,1-2H2,(H,10,11)(H2,13,14,15)
InChIKey
FCQQRWFREZXSMK-UHFFFAOYSA-N
Compound name
2,3,4-trihydroxy-2-(hydroxymethyl)-5-phosphonooxypentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

276.02463 Da
Monoisotopic Mass

-4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.03191 154.2
[M+Na]+ 299.01385 154.7
[M+NH4]+ 294.05845 158.5
[M+K]+ 314.98779 160.4
[M-H]- 275.01735 143.0
[M+Na-2H]- 296.99930 148.3
[M]+ 276.02408 149.9
[M]- 276.02518 149.9
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.