CID 14482378

4-ethylpyridine-2-carbonitrile

Structural Information

Molecular Formula
C8H8N2
SMILES
CCC1=CC(=NC=C1)C#N
InChI
InChI=1S/C8H8N2/c1-2-7-3-4-10-8(5-7)6-9/h3-5H,2H2,1H3
InChIKey
WSIWRNNXMDBVGX-UHFFFAOYSA-N
Compound name
4-ethylpyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

122
Patents

132.06874 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.076016 124.9
[M+Na]+ 155.057958 135.4
[M-H]- 131.061464 126.9
[M+NH4]+ 150.102563 143.6
[M+K]+ 171.031898 132.8
[M+H-H2O]+ 115.066000 112.2
[M+HCOO]- 177.066941 144.8
[M+CH3COO]- 191.082591 186.4
[M+Na-2H]- 153.043406 132.6
[M]+ 132.06819142 120.2
[M]- 132.06928858 120.2
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