CID 16226806

872103-36-1

Structural Information

Molecular Formula
C10H11FN2O5
SMILES
C1CC(OC1)N2C=C(C(=O)N(C2=O)CC(=O)O)F
InChI
InChI=1S/C10H11FN2O5/c11-6-4-12(7-2-1-3-18-7)10(17)13(9(6)16)5-8(14)15/h4,7H,1-3,5H2,(H,14,15)
InChIKey
XPFDWZAZTFWOQS-UHFFFAOYSA-N
Compound name
2-[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

258.0652 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.07248 149.9
[M+Na]+ 281.05442 159.5
[M-H]- 257.05792 152.8
[M+NH4]+ 276.09902 163.8
[M+K]+ 297.02836 157.9
[M+H-H2O]+ 241.06246 141.7
[M+HCOO]- 303.06340 167.9
[M+CH3COO]- 317.07905 190.2
[M+Na-2H]- 279.03987 151.4
[M]+ 258.06465 150.2
[M]- 258.06575 150.2
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

No patent data available for this compound.