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]+ 261.03700 153.9
[M+Na]+ 283.01894 157.6
[M-H]- 259.02244 144.5
[M+NH4]+ 278.06354 147.0
[M+K]+ 298.99288 157.8
[M+H-H2O]+ 243.02698 147.6
[M+HCOO]- 305.02792 160.5
[M+CH3COO]- 319.04357 179.8
[M+Na-2H]- 281.00439 155.2
[M]+ 260.02917 154.3
[M]- 260.03027 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.