CID 46926292

L-rhamnitol 1-phosphate

Structural Information

Molecular Formula
C6H15O8P
SMILES
C[C@@H]([C@@H]([C@H]([C@H](COP(=O)(O)O)O)O)O)O
InChI
InChI=1S/C6H15O8P/c1-3(7)5(9)6(10)4(8)2-14-15(11,12)13/h3-10H,2H2,1H3,(H2,11,12,13)/t3-,4-,5-,6-/m0/s1
InChIKey
ZCDHQTZAGLCRPK-BXKVDMCESA-N
Compound name
[(2S,3S,4S,5S)-2,3,4,5-tetrahydroxyhexyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.05046 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.057736 153.9
[M+Na]+ 269.039678 156.9
[M-H]- 245.043184 144.5
[M+NH4]+ 264.084283 166.8
[M+K]+ 285.013618 157.6
[M+H-H2O]+ 229.047720 147.3
[M+HCOO]- 291.048661 170.0
[M+CH3COO]- 305.064311 179.8
[M+Na-2H]- 267.025126 150.8
[M]+ 246.04991142 152.9
[M]- 246.05100858 152.9
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.