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]+ 185.07208 135.4
[M+Na]+ 207.05402 144.3
[M-H]- 183.05752 137.0
[M+NH4]+ 202.09862 154.0
[M+K]+ 223.02796 143.0
[M+H-H2O]+ 167.06206 127.9
[M+HCOO]- 229.06300 158.7
[M+CH3COO]- 243.07865 184.1
[M+Na-2H]- 205.03947 141.3
[M]+ 184.06425 135.8
[M]- 184.06535 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.