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 150.2
[M+Na]+ 264.06312 159.3
[M-H]- 240.06662 157.5
[M+NH4]+ 259.10772 167.8
[M+K]+ 280.03706 157.0
[M+H-H2O]+ 224.07116 142.7
[M+HCOO]- 286.07210 172.4
[M+CH3COO]- 300.08775 163.7
[M+Na-2H]- 262.04857 157.0
[M]+ 241.07335 152.9
[M]- 241.07445 152.9
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

No patent data available for this compound.