CID 70678985

Alpha-d-ribose 1-methylphosphonate 5-phosphate

Structural Information

Molecular Formula
C6H14O10P2
SMILES
CP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O
InChI
InChI=1S/C6H14O10P2/c1-17(9,10)16-6-5(8)4(7)3(15-6)2-14-18(11,12)13/h3-8H,2H2,1H3,(H,9,10)(H2,11,12,13)/t3-,4-,5-,6-/m1/s1
InChIKey
RITBIFGLPRFTSB-KVTDHHQDSA-N
Compound name
[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]oxy-methylphosphinic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

25
Patents

308.00623 Da
Monoisotopic Mass

-4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.01351 161.2
[M+Na]+ 330.99545 165.9
[M-H]- 306.99895 156.4
[M+NH4]+ 326.04005 173.4
[M+K]+ 346.96939 167.8
[M+H-H2O]+ 291.00349 152.8
[M+HCOO]- 353.00443 184.7
[M+CH3COO]- 367.02008 190.9
[M+Na-2H]- 328.98090 162.6
[M]+ 308.00568 164.0
[M]- 308.00678 164.0
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