CID 6485817

6-ethoxynicotinic acid

Structural Information

Molecular Formula
C8H9NO3
SMILES
CCOC1=NC=C(C=C1)C(=O)O
InChI
InChI=1S/C8H9NO3/c1-2-12-7-4-3-6(5-9-7)8(10)11/h3-5H,2H2,1H3,(H,10,11)
InChIKey
RAMUDXNFZBUNHO-UHFFFAOYSA-N
Compound name
6-ethoxypyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

172
Patents

167.05824 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06552 133.2
[M+Na]+ 190.04746 145.3
[M+NH4]+ 185.09206 140.3
[M+K]+ 206.02140 140.5
[M-H]- 166.05096 133.3
[M+Na-2H]- 188.03291 139.1
[M]+ 167.05769 134.7
[M]- 167.05879 134.7
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