CID 10953821

N-(3-cyanopyridin-2-yl)acetamide

Structural Information

Molecular Formula
C8H7N3O
SMILES
CC(=O)NC1=C(C=CC=N1)C#N
InChI
InChI=1S/C8H7N3O/c1-6(12)11-8-7(5-9)3-2-4-10-8/h2-4H,1H3,(H,10,11,12)
InChIKey
FZQJJMNVXNHAMM-UHFFFAOYSA-N
Compound name
N-(3-cyanopyridin-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

161.05891 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.06619 134.2
[M+Na]+ 184.04813 143.6
[M-H]- 160.05163 136.1
[M+NH4]+ 179.09273 151.2
[M+K]+ 200.02207 141.6
[M+H-H2O]+ 144.05617 120.8
[M+HCOO]- 206.05711 154.3
[M+CH3COO]- 220.07276 191.9
[M+Na-2H]- 182.03358 140.5
[M]+ 161.05836 128.5
[M]- 161.05946 128.5
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