CID 696295

Nsc172208

Structural Information

Molecular Formula
C9H7N3O
SMILES
C1=CN=CC=C1/C=C(/C#N)\C(=O)N
InChI
InChI=1S/C9H7N3O/c10-6-8(9(11)13)5-7-1-3-12-4-2-7/h1-5H,(H2,11,13)/b8-5-
InChIKey
OJUGYMUOPZHNKD-YVMONPNESA-N
Compound name
(Z)-2-cyano-3-pyridin-4-ylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

173.05891 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.066186 140.6
[M+Na]+ 196.048128 148.9
[M-H]- 172.051634 141.6
[M+NH4]+ 191.092733 156.4
[M+K]+ 212.022068 146.0
[M+H-H2O]+ 156.056170 126.9
[M+HCOO]- 218.057111 159.0
[M+CH3COO]- 232.072761 193.0
[M+Na-2H]- 194.033576 144.8
[M]+ 173.05836142 132.7
[M]- 173.05945858 132.7
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

No patent data available for this compound.