CID 43144907

1094325-06-0

Structural Information

Molecular Formula
C12H9NO3
SMILES
C1=CC=C(C(=C1)C(=O)O)OC2=CN=CC=C2
InChI
InChI=1S/C12H9NO3/c14-12(15)10-5-1-2-6-11(10)16-9-4-3-7-13-8-9/h1-8H,(H,14,15)
InChIKey
CVDCJGITZQGDJF-UHFFFAOYSA-N
Compound name
2-pyridin-3-yloxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

215.05824 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.065516 144.1
[M+Na]+ 238.047458 151.9
[M-H]- 214.050964 148.4
[M+NH4]+ 233.092063 160.1
[M+K]+ 254.021398 148.9
[M+H-H2O]+ 198.055500 136.2
[M+HCOO]- 260.056441 166.2
[M+CH3COO]- 274.072091 183.4
[M+Na-2H]- 236.032906 151.0
[M]+ 215.05769142 144.4
[M]- 215.05878858 144.4
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