CID 853178

2,6-dimethoxypyridine-3-carboxylic acid

Structural Information

Molecular Formula
C8H9NO4
SMILES
COC1=NC(=C(C=C1)C(=O)O)OC
InChI
InChI=1S/C8H9NO4/c1-12-6-4-3-5(8(10)11)7(9-6)13-2/h3-4H,1-2H3,(H,10,11)
InChIKey
SDJQZCSCHUIITF-UHFFFAOYSA-N
Compound name
2,6-dimethoxypyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

513
Patents

183.05316 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.060436 134.4
[M+Na]+ 206.042378 143.5
[M-H]- 182.045884 136.0
[M+NH4]+ 201.086983 152.5
[M+K]+ 222.016318 142.8
[M+H-H2O]+ 166.050420 128.1
[M+HCOO]- 228.051361 156.6
[M+CH3COO]- 242.067011 178.8
[M+Na-2H]- 204.027826 140.1
[M]+ 183.05261142 137.8
[M]- 183.05370858 137.8
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