CID 44630535

4-amino-5-fluoro-2-methoxypyrimidine

Structural Information

Molecular Formula
C5H6FN3O
SMILES
COC1=NC=C(C(=N1)N)F
InChI
InChI=1S/C5H6FN3O/c1-10-5-8-2-3(6)4(7)9-5/h2H,1H3,(H2,7,8,9)
InChIKey
BYALTIIVASWNSY-UHFFFAOYSA-N
Compound name
5-fluoro-2-methoxypyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

143.04948 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.05676 124.7
[M+Na]+ 166.03870 134.9
[M-H]- 142.04220 124.7
[M+NH4]+ 161.08330 143.5
[M+K]+ 182.01264 133.3
[M+H-H2O]+ 126.04674 116.9
[M+HCOO]- 188.04768 147.5
[M+CH3COO]- 202.06333 175.7
[M+Na-2H]- 164.02415 132.4
[M]+ 143.04893 123.5
[M]- 143.05003 123.5
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

patents stripe