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: 5
Patents: 246.0652 Da
Monoisotopic Mass: -1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe