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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.08118 151.4
[M+Na]+ 264.06312 166.0
[M+NH4]+ 259.10772 160.2
[M+K]+ 280.03706 160.7
[M-H]- 240.06662 156.5
[M+Na-2H]- 262.04857 158.9
[M]+ 241.07335 155.0
[M]- 241.07445 155.0
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

No patent data available for this compound.