CID 24699507

2-(3-ethylphenoxy)pyridine-4-carbonitrile

Structural Information

Molecular Formula
C14H12N2O
SMILES
CCC1=CC(=CC=C1)OC2=NC=CC(=C2)C#N
InChI
InChI=1S/C14H12N2O/c1-2-11-4-3-5-13(8-11)17-14-9-12(10-15)6-7-16-14/h3-9H,2H2,1H3
InChIKey
FEEMXZFUENIEEC-UHFFFAOYSA-N
Compound name
2-(3-ethylphenoxy)pyridine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.09496 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.102236 150.7
[M+Na]+ 247.084178 161.2
[M-H]- 223.087684 154.7
[M+NH4]+ 242.128783 165.6
[M+K]+ 263.058118 155.9
[M+H-H2O]+ 207.092220 136.1
[M+HCOO]- 269.093161 170.1
[M+CH3COO]- 283.108811 201.4
[M+Na-2H]- 245.069626 156.6
[M]+ 224.09441142 146.9
[M]- 224.09550858 146.9
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.