CID 510971

660845-69-2

Structural Information

Molecular Formula
C10H13FN2O6
SMILES
C[C@]1([C@H]([C@H]([C@@H](O1)N2C=C(C(=O)NC2=O)F)O)O)CO
InChI
InChI=1S/C10H13FN2O6/c1-10(3-14)6(16)5(15)8(19-10)13-2-4(11)7(17)12-9(13)18/h2,5-6,8,14-16H,3H2,1H3,(H,12,17,18)/t5-,6+,8-,10-/m1/s1
InChIKey
MLJJNLSGOFMBET-TWOTXZKJSA-N
Compound name
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-5-fluoropyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

276.07578 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.08306 154.2
[M+Na]+ 299.06500 164.9
[M-H]- 275.06850 154.0
[M+NH4]+ 294.10960 168.0
[M+K]+ 315.03894 162.0
[M+H-H2O]+ 259.07304 147.9
[M+HCOO]- 321.07398 168.5
[M+CH3COO]- 335.08963 188.1
[M+Na-2H]- 297.05045 155.8
[M]+ 276.07523 153.2
[M]- 276.07633 153.2
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