CID 4443484

77474-49-8

Structural Information

Molecular Formula
C9H11FN2O5
SMILES
CC(=O)OCCOCN1C=C(C(=O)NC1=O)F
InChI
InChI=1S/C9H11FN2O5/c1-6(13)17-3-2-16-5-12-4-7(10)8(14)11-9(12)15/h4H,2-3,5H2,1H3,(H,11,14,15)
InChIKey
MYQMYIYGAKRDIG-UHFFFAOYSA-N
Compound name
2-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methoxy]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

246.0652 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.07248 146.6
[M+Na]+ 269.05442 156.6
[M-H]- 245.05792 145.6
[M+NH4]+ 264.09902 160.9
[M+K]+ 285.02836 154.5
[M+H-H2O]+ 229.06246 138.4
[M+HCOO]- 291.06340 166.6
[M+CH3COO]- 305.07905 188.6
[M+Na-2H]- 267.03987 150.6
[M]+ 246.06465 150.1
[M]- 246.06575 150.1
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.