CID 15639416

Ethyl 3-formylpyridine-2-carboxylate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

179.05824 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.065516 134.8
[M+Na]+ 202.047458 143.5
[M-H]- 178.050964 137.4
[M+NH4]+ 197.092063 153.6
[M+K]+ 218.021398 142.3
[M+H-H2O]+ 162.055500 128.2
[M+HCOO]- 224.056441 158.2
[M+CH3COO]- 238.072091 179.6
[M+Na-2H]- 200.032906 141.3
[M]+ 179.05769142 137.9
[M]- 179.05878858 137.9
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