CID 83650238

5-(3-methoxyphenoxy)pyridine-2-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.0688 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.076076 151.4
[M+Na]+ 268.058018 159.5
[M-H]- 244.061524 155.9
[M+NH4]+ 263.102623 166.4
[M+K]+ 284.031958 157.0
[M+H-H2O]+ 228.066060 143.3
[M+HCOO]- 290.067001 173.3
[M+CH3COO]- 304.082651 189.7
[M+Na-2H]- 266.043466 157.0
[M]+ 245.06825142 153.9
[M]- 245.06934858 153.9
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

No patent data available for this compound.