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]+ 172.05168 131.5
[M+Na]+ 194.03362 141.3
[M-H]- 170.03712 131.5
[M+NH4]+ 189.07822 149.0
[M+K]+ 210.00756 139.8
[M+H-H2O]+ 154.04166 123.5
[M+HCOO]- 216.04260 153.4
[M+CH3COO]- 230.05825 180.2
[M+Na-2H]- 192.01907 137.4
[M]+ 171.04385 130.7
[M]- 171.04495 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