CID 14010979

D-tagatose 1-phosphate(2-)

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]+ 261.03700 151.6
[M+Na]+ 283.01894 157.1
[M-H]- 259.02244 146.7
[M+NH4]+ 278.06354 165.2
[M+K]+ 298.99288 157.8
[M+H-H2O]+ 243.02698 145.9
[M+HCOO]- 305.02792 168.0
[M+CH3COO]- 319.04357 179.5
[M+Na-2H]- 281.00439 154.8
[M]+ 260.02917 150.5
[M]- 260.03027 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.