CID 92041

56177-80-1

Structural Information

Molecular Formula

C₆H₇FN₂O₂

SMILES

CCOC1=NC=C(C(=O)N1)F

InChI

InChI=1S/C6H7FN2O2/c1-2-11-6-8-3-4(7)5(10)9-6/h3H,2H2,1H3,(H,8,9,10)

InChIKey

XREDGJFKPWBNRQ-UHFFFAOYSA-N

Compound name

2-ethoxy-5-fluoro-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 8
References: 9
Patents: 158.04915 Da
Monoisotopic Mass: 0.4
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]+	159.056426	127.3
[M+Na]+	181.038368	137.7
[M-H]-	157.041874	126.2
[M+NH4]+	176.082973	145.3
[M+K]+	197.012308	135.3
[M+H-H2O]+	141.046410	119.8
[M+HCOO]-	203.047351	148.3
[M+CH3COO]-	217.063001	173.2
[M+Na-2H]-	179.023816	134.6
[M]+	158.04860142	127.1
[M]-	158.04969858	127.1

Literature stripe

literature stripe

Patent stripe

patents stripe