CID 134817351

Methyl 6-fluoro-4-(methylamino)pyridine-3-carboxylate

Structural Information

Molecular Formula
C8H9FN2O2
SMILES
CNC1=CC(=NC=C1C(=O)OC)F
InChI
InChI=1S/C8H9FN2O2/c1-10-6-3-7(9)11-4-5(6)8(12)13-2/h3-4H,1-2H3,(H,10,11)
InChIKey
XJJUEYFLPMCSNN-UHFFFAOYSA-N
Compound name
methyl 6-fluoro-4-(methylamino)pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.0648 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.072076 135.4
[M+Na]+ 207.054018 144.3
[M-H]- 183.057524 137.0
[M+NH4]+ 202.098623 154.0
[M+K]+ 223.027958 143.0
[M+H-H2O]+ 167.062060 127.9
[M+HCOO]- 229.063001 158.7
[M+CH3COO]- 243.078651 184.1
[M+Na-2H]- 205.039466 141.3
[M]+ 184.06425142 135.8
[M]- 184.06534858 135.8
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.