CID 177799373

Methyl 5-fluoro-4,6-dimethylpyridine-2-carboxylate

Structural Information

Molecular Formula
C9H10FNO2
SMILES
CC1=CC(=NC(=C1F)C)C(=O)OC
InChI
InChI=1S/C9H10FNO2/c1-5-4-7(9(12)13-3)11-6(2)8(5)10/h4H,1-3H3
InChIKey
AZIAKQIIJFOHDN-UHFFFAOYSA-N
Compound name
methyl 5-fluoro-4,6-dimethylpyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.06955 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.076826 134.4
[M+Na]+ 206.058768 144.9
[M-H]- 182.062274 136.4
[M+NH4]+ 201.103373 153.9
[M+K]+ 222.032708 143.4
[M+H-H2O]+ 166.066810 127.6
[M+HCOO]- 228.067751 156.4
[M+CH3COO]- 242.083401 183.5
[M+Na-2H]- 204.044216 138.9
[M]+ 183.06900142 136.4
[M]- 183.07009858 136.4
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.