CID 193537

Beta-d-fructose 2-phosphate

Structural Information

Molecular Formula
C6H13O9P
SMILES
C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OP(=O)(O)O)O)O)O
InChI
InChI=1S/C6H13O9P/c7-1-3-4(9)5(10)6(2-8,14-3)15-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6+/m1/s1
InChIKey
PMTUDJVZIGZBIX-ZXXMMSQZSA-N
Compound name
[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

37
Patents

260.02972 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.03700 150.2
[M+Na]+ 283.01894 156.2
[M-H]- 259.02244 145.4
[M+NH4]+ 278.06354 165.5
[M+K]+ 298.99288 156.5
[M+H-H2O]+ 243.02698 145.3
[M+HCOO]- 305.02792 168.5
[M+CH3COO]- 319.04357 178.8
[M+Na-2H]- 281.00439 152.9
[M]+ 260.02917 150.8
[M]- 260.03027 150.8
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