CID 515106

5'-deoxy-fau

Structural Information

Molecular Formula
C9H11FN2O4
SMILES
C[C@@H]1[C@H]([C@@H]([C@@H](O1)N2C=CC(=O)NC2=O)F)O
InChI
InChI=1S/C9H11FN2O4/c1-4-7(14)6(10)8(16-4)12-3-2-5(13)11-9(12)15/h2-4,6-8,14H,1H3,(H,11,13,15)/t4-,6+,7-,8-/m1/s1
InChIKey
XKBSNQZIXJSHIG-PXBUCIJWSA-N
Compound name
1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

230.07028 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.07756 145.0
[M+Na]+ 253.05950 155.7
[M-H]- 229.06300 147.0
[M+NH4]+ 248.10410 160.0
[M+K]+ 269.03344 152.9
[M+H-H2O]+ 213.06754 137.6
[M+HCOO]- 275.06848 162.4
[M+CH3COO]- 289.08413 183.7
[M+Na-2H]- 251.04495 146.8
[M]+ 230.06973 143.4
[M]- 230.07083 143.4
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.