CID 130058484

Methyl 6-amino-5-fluoropyrimidine-4-carboxylate

Structural Information

Molecular Formula
C6H6FN3O2
SMILES
COC(=O)C1=C(C(=NC=N1)N)F
InChI
InChI=1S/C6H6FN3O2/c1-12-6(11)4-3(7)5(8)10-2-9-4/h2H,1H3,(H2,8,9,10)
InChIKey
YAAIKKADLIEGBQ-UHFFFAOYSA-N
Compound name
methyl 6-amino-5-fluoropyrimidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

171.0444 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.051676 131.5
[M+Na]+ 194.033618 141.3
[M-H]- 170.037124 131.5
[M+NH4]+ 189.078223 149.0
[M+K]+ 210.007558 139.8
[M+H-H2O]+ 154.041660 123.5
[M+HCOO]- 216.042601 153.4
[M+CH3COO]- 230.058251 180.2
[M+Na-2H]- 192.019066 137.4
[M]+ 171.04385142 130.7
[M]- 171.04494858 130.7
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