CID 60771966

1455709-90-6

Structural Information

Molecular Formula

C₁₄H₁₁NO₃

SMILES

C1C(=O)C2=C(O1)C=C(C=C2)OCC3=CN=CC=C3

InChI

InChI=1S/C14H11NO3/c16-13-9-18-14-6-11(3-4-12(13)14)17-8-10-2-1-5-15-7-10/h1-7H,8-9H2

InChIKey

OENRYDAQVOAEIV-UHFFFAOYSA-N

Compound name

6-(pyridin-3-ylmethoxy)-1-benzofuran-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 241.0739 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	242.081176	150.2
[M+Na]+	264.063118	159.3
[M-H]-	240.066624	157.5
[M+NH4]+	259.107723	167.8
[M+K]+	280.037058	157.0
[M+H-H2O]+	224.071160	142.7
[M+HCOO]-	286.072101	172.4
[M+CH3COO]-	300.087751	163.7
[M+Na-2H]-	262.048566	157.0
[M]+	241.07335142	152.9
[M]-	241.07444858	152.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.