CID 66665996

1256810-44-2

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

183.05316 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.06044 136.0
[M+Na]+ 206.04238 147.9
[M+NH4]+ 201.08698 142.5
[M+K]+ 222.01632 143.9
[M-H]- 182.04588 135.6
[M+Na-2H]- 204.02783 141.2
[M]+ 183.05261 137.3
[M]- 183.05371 137.3
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

patents stripe