CID 178200073

Methyl 5-formyl-3-methoxypyridine-2-carboxylate

Structural Information

Molecular Formula
C9H9NO4
SMILES
COC1=C(N=CC(=C1)C=O)C(=O)OC
InChI
InChI=1S/C9H9NO4/c1-13-7-3-6(5-11)4-10-8(7)9(12)14-2/h3-5H,1-2H3
InChIKey
ONDFQXLKCRTDPI-UHFFFAOYSA-N
Compound name
methyl 5-formyl-3-methoxypyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.05316 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.06044 136.9
[M+Na]+ 218.04238 146.4
[M-H]- 194.04588 139.9
[M+NH4]+ 213.08698 155.3
[M+K]+ 234.01632 145.8
[M+H-H2O]+ 178.05042 130.4
[M+HCOO]- 240.05136 160.5
[M+CH3COO]- 254.06701 182.9
[M+Na-2H]- 216.02783 142.7
[M]+ 195.05261 141.8
[M]- 195.05371 141.8
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.