CID 14223465

Methyl 2-methoxyisonicotinate

Structural Information

Molecular Formula
C8H9NO3
SMILES
COC1=NC=CC(=C1)C(=O)OC
InChI
InChI=1S/C8H9NO3/c1-11-7-5-6(3-4-9-7)8(10)12-2/h3-5H,1-2H3
InChIKey
KVFSHVOCUQNUNV-UHFFFAOYSA-N
Compound name
methyl 2-methoxypyridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

167.05824 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06552 131.5
[M+Na]+ 190.04746 140.3
[M-H]- 166.05096 134.3
[M+NH4]+ 185.09206 150.9
[M+K]+ 206.02140 140.1
[M+H-H2O]+ 150.05550 125.1
[M+HCOO]- 212.05644 155.1
[M+CH3COO]- 226.07209 177.4
[M+Na-2H]- 188.03291 138.5
[M]+ 167.05769 134.9
[M]- 167.05879 134.9
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

patents stripe