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

22
Patents

229.0739 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.081176 148.5
[M+Na]+ 252.063118 156.4
[M-H]- 228.066624 154.1
[M+NH4]+ 247.107723 164.8
[M+K]+ 268.037058 154.1
[M+H-H2O]+ 212.071160 140.2
[M+HCOO]- 274.072101 171.8
[M+CH3COO]- 288.087751 188.3
[M+Na-2H]- 250.048566 155.3
[M]+ 229.07335142 150.9
[M]- 229.07444858 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