CID 5459839

D-hamamelose 2(1)-phosphate(2-)

Structural Information

Molecular Formula
C6H13O9P
SMILES
C([C@H]([C@H]([C@](COP(=O)(O)O)(C=O)O)O)O)O
InChI
InChI=1S/C6H13O9P/c7-1-4(9)5(10)6(11,2-8)3-15-16(12,13)14/h2,4-5,7,9-11H,1,3H2,(H2,12,13,14)/t4-,5-,6-/m1/s1
InChIKey
RIOZVCDMYGAYCJ-HSUXUTPPSA-N
Compound name
[(2R,3R,4R)-2-formyl-2,3,4,5-tetrahydroxypentyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.02972 Da
Monoisotopic Mass

-4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.036996 153.9
[M+Na]+ 283.018938 157.6
[M-H]- 259.022444 144.5
[M+NH4]+ 278.063543 147.0
[M+K]+ 298.992878 157.8
[M+H-H2O]+ 243.026980 147.6
[M+HCOO]- 305.027921 160.5
[M+CH3COO]- 319.043571 179.8
[M+Na-2H]- 281.004386 155.2
[M]+ 260.02917142 154.3
[M]- 260.03026858 154.3
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.