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]+ 247.05774 153.9
[M+Na]+ 269.03968 156.9
[M-H]- 245.04318 144.5
[M+NH4]+ 264.08428 166.8
[M+K]+ 285.01362 157.6
[M+H-H2O]+ 229.04772 147.3
[M+HCOO]- 291.04866 170.0
[M+CH3COO]- 305.06431 179.8
[M+Na-2H]- 267.02513 150.8
[M]+ 246.04991 152.9
[M]- 246.05101 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.