CID 16218333

26256-72-4

Structural Information

Molecular Formula
C8H9NO3
SMILES
COC1=CC=CC(=N1)C(=O)OC
InChI
InChI=1S/C8H9NO3/c1-11-7-5-3-4-6(9-7)8(10)12-2/h3-5H,1-2H3
InChIKey
QCCJUEURAZMEGY-UHFFFAOYSA-N
Compound name
methyl 6-methoxypyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

129
Patents

167.05824 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.065516 131.5
[M+Na]+ 190.047458 140.3
[M-H]- 166.050964 134.3
[M+NH4]+ 185.092063 150.9
[M+K]+ 206.021398 140.1
[M+H-H2O]+ 150.055500 125.1
[M+HCOO]- 212.056441 155.1
[M+CH3COO]- 226.072091 177.4
[M+Na-2H]- 188.032906 138.5
[M]+ 167.05769142 134.9
[M]- 167.05878858 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

No literature data available for this compound.

Patent stripe

patents stripe