CID 19959019

2-ethenylpyridine-3-carbonitrile

Structural Information

Molecular Formula
C8H6N2
SMILES
C=CC1=C(C=CC=N1)C#N
InChI
InChI=1S/C8H6N2/c1-2-8-7(6-9)4-3-5-10-8/h2-5H,1H2
InChIKey
UQNWOZPTLQJAOI-UHFFFAOYSA-N
Compound name
2-ethenylpyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

130.0531 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.06038 124.9
[M+Na]+ 153.04232 135.7
[M-H]- 129.04582 126.9
[M+NH4]+ 148.08692 143.6
[M+K]+ 169.01626 132.5
[M+H-H2O]+ 113.05036 112.2
[M+HCOO]- 175.05130 145.0
[M+CH3COO]- 189.06695 185.6
[M+Na-2H]- 151.02777 132.5
[M]+ 130.05255 119.5
[M]- 130.05365 119.5
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