CID 16228188

4-(pyridin-2-ylmethoxy)benzoic acid

Structural Information

Molecular Formula
C13H11NO3
SMILES
C1=CC=NC(=C1)COC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C13H11NO3/c15-13(16)10-4-6-12(7-5-10)17-9-11-3-1-2-8-14-11/h1-8H,9H2,(H,15,16)
InChIKey
FONKVXGQOAAQSQ-UHFFFAOYSA-N
Compound name
4-(pyridin-2-ylmethoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

62
Patents

229.0739 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.08118 148.7
[M+Na]+ 252.06312 156.0
[M-H]- 228.06662 152.8
[M+NH4]+ 247.10772 164.2
[M+K]+ 268.03706 152.9
[M+H-H2O]+ 212.07116 140.6
[M+HCOO]- 274.07210 170.4
[M+CH3COO]- 288.08775 186.4
[M+Na-2H]- 250.04857 155.0
[M]+ 229.07335 149.4
[M]- 229.07445 149.4
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

patents stripe