CID 10400369

1-o-phosphono-beta-d-fructofuranose

Structural Information

Molecular Formula
C6H13O9P
SMILES
C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)O
InChI
InChI=1S/C6H13O9P/c7-1-3-4(8)5(9)6(10,15-3)2-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6-/m1/s1
InChIKey
RHKKZBWRNHGJEZ-ARQDHWQXSA-N
Compound name
[(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

113
Patents

260.02972 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.03700 150.0
[M+Na]+ 283.01894 153.3
[M+NH4]+ 278.06354 152.9
[M+K]+ 298.99288 156.0
[M-H]- 259.02244 144.3
[M+Na-2H]- 281.00439 147.7
[M]+ 260.02917 148.0
[M]- 260.03027 148.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe