CID 2608786

2-[(2-methoxyphenyl)amino]pyridine-3-carboxylic acid

Structural Information

Molecular Formula
C13H12N2O3
SMILES
COC1=CC=CC=C1NC2=C(C=CC=N2)C(=O)O
InChI
InChI=1S/C13H12N2O3/c1-18-11-7-3-2-6-10(11)15-12-9(13(16)17)5-4-8-14-12/h2-8H,1H3,(H,14,15)(H,16,17)
InChIKey
BEXZOAJWOZFOSM-UHFFFAOYSA-N
Compound name
2-(2-methoxyanilino)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

244.0848 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.092076 152.4
[M+Na]+ 267.074018 159.8
[M-H]- 243.077524 156.9
[M+NH4]+ 262.118623 167.2
[M+K]+ 283.047958 156.6
[M+H-H2O]+ 227.082060 144.2
[M+HCOO]- 289.083001 175.2
[M+CH3COO]- 303.098651 192.6
[M+Na-2H]- 265.059466 158.5
[M]+ 244.08425142 152.8
[M]- 244.08534858 152.8
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

No patent data available for this compound.