CID 3055227

5-(4-methoxyphenoxy)pyridine-2-carboxylic acid

Structural Information

Molecular Formula
C13H11NO4
SMILES
COC1=CC=C(C=C1)OC2=CN=C(C=C2)C(=O)O
InChI
InChI=1S/C13H11NO4/c1-17-9-2-4-10(5-3-9)18-11-6-7-12(13(15)16)14-8-11/h2-8H,1H3,(H,15,16)
InChIKey
DUABAGMUALWLPS-UHFFFAOYSA-N
Compound name
5-(4-methoxyphenoxy)pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

245.0688 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.07608 152.6
[M+Na]+ 268.05802 166.6
[M+NH4]+ 263.10262 159.6
[M+K]+ 284.03196 160.9
[M-H]- 244.06152 155.1
[M+Na-2H]- 266.04347 160.9
[M]+ 245.06825 155.2
[M]- 245.06935 155.2
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