CID 2806410

2-cyano-n-(pyridin-4-yl)acetamide

Structural Information

Molecular Formula
C8H7N3O
SMILES
C1=CN=CC=C1NC(=O)CC#N
InChI
InChI=1S/C8H7N3O/c9-4-1-8(12)11-7-2-5-10-6-3-7/h2-3,5-6H,1H2,(H,10,11,12)
InChIKey
NXYFYWIFFJYFCE-UHFFFAOYSA-N
Compound name
2-cyano-N-pyridin-4-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

161.05891 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.06619 134.3
[M+Na]+ 184.04813 142.9
[M-H]- 160.05163 135.8
[M+NH4]+ 179.09273 150.9
[M+K]+ 200.02207 140.7
[M+H-H2O]+ 144.05617 120.6
[M+HCOO]- 206.05711 154.4
[M+CH3COO]- 220.07276 190.9
[M+Na-2H]- 182.03358 141.3
[M]+ 161.05836 128.3
[M]- 161.05946 128.3
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