CID 439958

56-73-5

Structural Information

Molecular Formula
C6H13O9P
SMILES
C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)OP(=O)(O)O
InChI
InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h1,3-6,8-11H,2H2,(H2,12,13,14)/t3-,4+,5+,6+/m0/s1
InChIKey
VFRROHXSMXFLSN-SLPGGIOYSA-N
Compound name
[(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

2403
References

57615
Patents

260.02972 Da
Monoisotopic Mass

-4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.03700 153.4
[M+Na]+ 283.01894 154.9
[M+NH4]+ 278.06354 153.4
[M+K]+ 298.99288 159.2
[M-H]- 259.02244 143.5
[M+Na-2H]- 281.00439 148.0
[M]+ 260.02917 149.6
[M]- 260.03027 149.6
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