CID 16727491

Nsc625772

Structural Information

Molecular Formula
C9H11FN2O4
SMILES
C1=CN(C(=O)N=C1)[C@@H]2[C@H]([C@@H]([C@H](O2)CO)O)F
InChI
InChI=1S/C9H11FN2O4/c10-6-7(14)5(4-13)16-8(6)12-3-1-2-11-9(12)15/h1-3,5-8,13-14H,4H2/t5-,6+,7-,8+/m1/s1
InChIKey
WQIKHPATWLOZFO-CWKFCGSDSA-N
Compound name
1-[(2S,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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 145.5
[M+Na]+ 253.05950 155.0
[M-H]- 229.06300 147.1
[M+NH4]+ 248.10410 160.2
[M+K]+ 269.03344 152.9
[M+H-H2O]+ 213.06754 137.7
[M+HCOO]- 275.06848 162.8
[M+CH3COO]- 289.08413 183.1
[M+Na-2H]- 251.04495 148.0
[M]+ 230.06973 144.2
[M]- 230.07083 144.2
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.