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]+ 321.058116 170.1
[M+Na]+ 343.040058 168.9
[M-H]- 319.043564 172.1
[M+NH4]+ 338.084663 167.2
[M+K]+ 359.013998 161.7
[M+H-H2O]+ 303.048100 158.7
[M+HCOO]- 365.049041 164.9
[M+CH3COO]- 379.064691 190.7
[M+Na-2H]- 341.025506 159.7
[M]+ 320.05029142 162.6
[M]- 320.05138858 162.6
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.