CID 135455309

1597-35-9

Structural Information

Molecular Formula
C5H6FN3O
SMILES
CC1=C(C(=O)NC(=N1)N)F
InChI
InChI=1S/C5H6FN3O/c1-2-3(6)4(10)9-5(7)8-2/h1H3,(H3,7,8,9,10)
InChIKey
CBRFQLVEZWUNEN-UHFFFAOYSA-N
Compound name
2-amino-5-fluoro-4-methyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

143.04948 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.05676 124.9
[M+Na]+ 166.03870 136.0
[M-H]- 142.04220 123.9
[M+NH4]+ 161.08330 143.2
[M+K]+ 182.01264 132.8
[M+H-H2O]+ 126.04674 117.8
[M+HCOO]- 188.04768 146.4
[M+CH3COO]- 202.06333 173.6
[M+Na-2H]- 164.02415 131.2
[M]+ 143.04893 121.5
[M]- 143.05003 121.5
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