CID 90658710

Aldehydo-octose 8-phosphate

Structural Information

Molecular Formula
C8H17O11P
SMILES
C([C@H]([C@H]([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O)O)OP(=O)(O)O
InChI
InChI=1S/C8H17O11P/c9-1-3(10)5(12)7(14)8(15)6(13)4(11)2-19-20(16,17)18/h1,3-8,10-15H,2H2,(H2,16,17,18)/t3-,4+,5+,6+,7-,8+/m0/s1
InChIKey
GFOXCVINSMGWST-RIVGTQPSSA-N
Compound name
[(2R,3R,4R,5R,6S,7R)-2,3,4,5,6,7-hexahydroxy-8-oxooctyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

0
Patents

320.05084 Da
Monoisotopic Mass

-5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.05812 165.6
[M+Na]+ 343.04006 171.0
[M+NH4]+ 338.08466 173.5
[M+K]+ 359.01400 167.5
[M-H]- 319.04356 172.2
[M+Na-2H]- 341.02551 157.1
[M]+ 320.05029 169.2
[M]- 320.05139 169.2
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.