CID 4672598

3-(cyanomethyl)pyridine-2-carbonitrile

Structural Information

Molecular Formula
C8H5N3
SMILES
C1=CC(=C(N=C1)C#N)CC#N
InChI
InChI=1S/C8H5N3/c9-4-3-7-2-1-5-11-8(7)6-10/h1-2,5H,3H2
InChIKey
OAZZLWZPBSJOKZ-UHFFFAOYSA-N
Compound name
3-(cyanomethyl)pyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
Patents

143.04834 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.05562 141.1
[M+Na]+ 166.03756 151.1
[M-H]- 142.04106 143.3
[M+NH4]+ 161.08216 154.1
[M+K]+ 182.01150 148.1
[M+H-H2O]+ 126.04560 125.4
[M+HCOO]- 188.04654 153.6
[M+CH3COO]- 202.06219 209.9
[M+Na-2H]- 164.02301 145.3
[M]+ 143.04779 133.0
[M]- 143.04889 133.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe