CID 46737949

6-ethynylfuro[3,2-b]pyridine

Structural Information

Molecular Formula
C9H5NO
SMILES
C#CC1=CC2=C(C=CO2)N=C1
InChI
InChI=1S/C9H5NO/c1-2-7-5-9-8(10-6-7)3-4-11-9/h1,3-6H
InChIKey
JUJFZXIEHAJRBN-UHFFFAOYSA-N
Compound name
6-ethynylfuro[3,2-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

143.03711 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.044386 126.1
[M+Na]+ 166.026328 139.7
[M-H]- 142.029834 128.3
[M+NH4]+ 161.070933 145.5
[M+K]+ 182.000268 135.2
[M+H-H2O]+ 126.034370 113.8
[M+HCOO]- 188.035311 144.8
[M+CH3COO]- 202.050961 139.7
[M+Na-2H]- 164.011776 134.5
[M]+ 143.03656142 123.4
[M]- 143.03765858 123.4
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