CID 215890

Methyl 2-phenoxynicotinate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

6
References

5
Patents

229.0739 Da
Monoisotopic Mass

2.6
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

literature stripe

Patent stripe

patents stripe