CID 131118689

1803894-95-2

Structural Information

Molecular Formula
C7H7FN2O2
SMILES
COC(=O)C1=CN=C(C=C1F)N
InChI
InChI=1S/C7H7FN2O2/c1-12-7(11)4-3-10-6(9)2-5(4)8/h2-3H,1H3,(H2,9,10)
InChIKey
LCVCGGJOGTZIIT-UHFFFAOYSA-N
Compound name
methyl 6-amino-4-fluoropyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 132.5
[M+Na]+ 193.03837 143.6
[M+NH4]+ 188.08297 139.2
[M+K]+ 209.01231 139.1
[M-H]- 169.04187 132.2
[M+Na-2H]- 191.02382 137.9
[M]+ 170.04860 133.7
[M]- 170.04970 133.7
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

No patent data available for this compound.