CID 706187

90004-06-1

Structural Information

Molecular Formula
C8H7N3O
SMILES
C1=CC=NC(=C1)NC(=O)CC#N
InChI
InChI=1S/C8H7N3O/c9-5-4-8(12)11-7-3-1-2-6-10-7/h1-3,6H,4H2,(H,10,11,12)
InChIKey
PMEKHNOMXFPLAK-UHFFFAOYSA-N
Compound name
2-cyano-N-pyridin-2-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

161.05891 Da
Monoisotopic Mass

1.0
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