CID 2736345

2-ethoxypyridine-3-carboxylic acid

Structural Information

Molecular Formula
C8H9NO3
SMILES
CCOC1=C(C=CC=N1)C(=O)O
InChI
InChI=1S/C8H9NO3/c1-2-12-7-6(8(10)11)4-3-5-9-7/h3-5H,2H2,1H3,(H,10,11)
InChIKey
XCMJQQOMGWGGSI-UHFFFAOYSA-N
Compound name
2-ethoxypyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

698
Patents

167.05824 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.065516 132.2
[M+Na]+ 190.047458 140.4
[M-H]- 166.050964 133.4
[M+NH4]+ 185.092063 150.7
[M+K]+ 206.021398 139.2
[M+H-H2O]+ 150.055500 125.9
[M+HCOO]- 212.056441 154.2
[M+CH3COO]- 226.072091 175.5
[M+Na-2H]- 188.032906 138.6
[M]+ 167.05769142 133.7
[M]- 167.05878858 133.7
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