CID 14010979

D-tagatopyranose 1-phosphate

Structural Information

Molecular Formula
C6H13O9P
SMILES
C1[C@H]([C@@H]([C@@H](C(O1)(COP(=O)(O)O)O)O)O)O
InChI
InChI=1S/C6H13O9P/c7-3-1-14-6(10,5(9)4(3)8)2-15-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4+,5+,6?/m1/s1
InChIKey
HXRNACQBNUPKDX-OEXCPVAWSA-N
Compound name
[(3S,4S,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.02972 Da
Monoisotopic Mass

-4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.036996 151.6
[M+Na]+ 283.018938 157.1
[M-H]- 259.022444 146.7
[M+NH4]+ 278.063543 165.2
[M+K]+ 298.992878 157.8
[M+H-H2O]+ 243.026980 145.9
[M+HCOO]- 305.027921 168.0
[M+CH3COO]- 319.043571 179.5
[M+Na-2H]- 281.004386 154.8
[M]+ 260.02917142 150.5
[M]- 260.03026858 150.5
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

No patent data available for this compound.