CID 72213518

1256792-42-3

Structural Information

Molecular Formula
C7H7FN2O2
SMILES
COC(=O)C1=CC(=C(N=C1)N)F
InChI
InChI=1S/C7H7FN2O2/c1-12-7(11)4-2-5(8)6(9)10-3-4/h2-3H,1H3,(H2,9,10)
InChIKey
FQBYGMXZQQGSNC-UHFFFAOYSA-N
Compound name
methyl 6-amino-5-fluoropyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

170.04915 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.05643 131.3
[M+Na]+ 193.03837 140.7
[M-H]- 169.04187 132.6
[M+NH4]+ 188.08297 150.2
[M+K]+ 209.01231 139.2
[M+H-H2O]+ 153.04641 124.1
[M+HCOO]- 215.04735 154.3
[M+CH3COO]- 229.06300 180.4
[M+Na-2H]- 191.02382 136.7
[M]+ 170.04860 130.3
[M]- 170.04970 130.3
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