CID 44206644

Ethyl 6-formylpicolinate

Structural Information

Molecular Formula
C9H9NO3
SMILES
CCOC(=O)C1=CC=CC(=N1)C=O
InChI
InChI=1S/C9H9NO3/c1-2-13-9(12)8-5-3-4-7(6-11)10-8/h3-6H,2H2,1H3
InChIKey
PILDWRGFGKVUSE-UHFFFAOYSA-N
Compound name
ethyl 6-formylpyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

179.05824 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.06552 136.5
[M+Na]+ 202.04746 149.0
[M+NH4]+ 197.09206 143.5
[M+K]+ 218.02140 143.5
[M-H]- 178.05096 136.9
[M+Na-2H]- 200.03291 142.6
[M]+ 179.05769 138.2
[M]- 179.05879 138.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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