CID 49866901

Schembl460086

Structural Information

Molecular Formula
C6H15O8P
SMILES
C(CO)[C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O
InChI
InChI=1S/C6H15O8P/c7-2-1-4(8)6(10)5(9)3-14-15(11,12)13/h4-10H,1-3H2,(H2,11,12,13)/t4-,5-,6+/m1/s1
InChIKey
KLPBNGZTTQNYHR-PBXRRBTRSA-N
Compound name
[(2R,3S,4R)-2,3,4,6-tetrahydroxyhexyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

43
Patents

246.05046 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.05774 154.2
[M+Na]+ 269.03968 157.4
[M-H]- 245.04318 144.7
[M+NH4]+ 264.08428 167.1
[M+K]+ 285.01362 157.4
[M+H-H2O]+ 229.04772 147.4
[M+HCOO]- 291.04866 171.2
[M+CH3COO]- 305.06431 178.8
[M+Na-2H]- 267.02513 152.3
[M]+ 246.04991 153.8
[M]- 246.05101 153.8
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