CID 39226495

4-methoxy-3-(pyridin-2-yl)benzoic acid

Structural Information

Molecular Formula
C13H11NO3
SMILES
COC1=C(C=C(C=C1)C(=O)O)C2=CC=CC=N2
InChI
InChI=1S/C13H11NO3/c1-17-12-6-5-9(13(15)16)8-10(12)11-4-2-3-7-14-11/h2-8H,1H3,(H,15,16)
InChIKey
FWJIAMUVXKCWND-UHFFFAOYSA-N
Compound name
4-methoxy-3-pyridin-2-ylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

229.0739 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.081176 148.4
[M+Na]+ 252.063118 156.7
[M-H]- 228.066624 153.0
[M+NH4]+ 247.107723 164.3
[M+K]+ 268.037058 153.6
[M+H-H2O]+ 212.071160 140.6
[M+HCOO]- 274.072101 170.2
[M+CH3COO]- 288.087751 187.6
[M+Na-2H]- 250.048566 154.1
[M]+ 229.07335142 149.6
[M]- 229.07444858 149.6
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