CID 193886

D-arabino-hex-3-ulose 6-phosphate

Structural Information

Molecular Formula
C6H13O9P
SMILES
C([C@H](C(=O)[C@@H]([C@@H](COP(=O)(O)O)O)O)O)O
InChI
InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-4,6-9,11H,1-2H2,(H2,12,13,14)/t3-,4-,6-/m1/s1
InChIKey
UZYFNQCWJLIAKE-ZMIZWQJLSA-N
Compound name
[(2R,3R,5R)-2,3,5,6-tetrahydroxy-4-oxohexyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

52
Patents

260.02972 Da
Monoisotopic Mass

-4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.03700 153.6
[M+Na]+ 283.01894 156.6
[M-H]- 259.02244 144.1
[M+NH4]+ 278.06354 154.0
[M+K]+ 298.99288 157.4
[M+H-H2O]+ 243.02698 146.7
[M+HCOO]- 305.02792 170.1
[M+CH3COO]- 319.04357 181.4
[M+Na-2H]- 281.00439 150.9
[M]+ 260.02917 153.3
[M]- 260.03027 153.3
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