CID 14939787

163359-11-3

Structural Information

Molecular Formula
C8H8N2
SMILES
CC(C#N)C1=CN=CC=C1
InChI
InChI=1S/C8H8N2/c1-7(5-9)8-3-2-4-10-6-8/h2-4,6-7H,1H3
InChIKey
ZQCJRXRGAZPPQV-UHFFFAOYSA-N
Compound name
2-pyridin-3-ylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

132.06874 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.07602 126.6
[M+Na]+ 155.05796 136.0
[M-H]- 131.06146 128.3
[M+NH4]+ 150.10256 144.9
[M+K]+ 171.03190 133.7
[M+H-H2O]+ 115.06600 113.6
[M+HCOO]- 177.06694 145.6
[M+CH3COO]- 191.08259 186.2
[M+Na-2H]- 153.04341 133.7
[M]+ 132.06819 120.9
[M]- 132.06929 120.9
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.