CID 66545153

Ethyl 6-[cyano(phenyl)methyl]pyridine-2-carboxylate

Structural Information

Molecular Formula
C16H14N2O2
SMILES
CCOC(=O)C1=CC=CC(=N1)C(C#N)C2=CC=CC=C2
InChI
InChI=1S/C16H14N2O2/c1-2-20-16(19)15-10-6-9-14(18-15)13(11-17)12-7-4-3-5-8-12/h3-10,13H,2H2,1H3
InChIKey
KNFWODCGAQJLJN-UHFFFAOYSA-N
Compound name
ethyl 6-[cyano(phenyl)methyl]pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.10553 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.11281 163.5
[M+Na]+ 289.09475 176.5
[M+NH4]+ 284.13935 167.4
[M+K]+ 305.06869 166.4
[M-H]- 265.09825 159.2
[M+Na-2H]- 287.08020 168.9
[M]+ 266.10498 163.3
[M]- 266.10608 163.3
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.