CID 47002921

Methyl 4-(pyridin-3-yloxy)benzoate

Structural Information

Molecular Formula
C13H11NO3
SMILES
COC(=O)C1=CC=C(C=C1)OC2=CN=CC=C2
InChI
InChI=1S/C13H11NO3/c1-16-13(15)10-4-6-11(7-5-10)17-12-3-2-8-14-9-12/h2-9H,1H3
InChIKey
NCGXAKPNWPIEJG-UHFFFAOYSA-N
Compound name
methyl 4-pyridin-3-yloxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

229.0739 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.08118 148.5
[M+Na]+ 252.06312 156.4
[M-H]- 228.06662 154.1
[M+NH4]+ 247.10772 164.8
[M+K]+ 268.03706 154.1
[M+H-H2O]+ 212.07116 140.2
[M+HCOO]- 274.07210 171.8
[M+CH3COO]- 288.08775 188.3
[M+Na-2H]- 250.04857 155.3
[M]+ 229.07335 150.9
[M]- 229.07445 150.9
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

patents stripe