CID 43616243

N-(pyridin-3-yl)prop-2-enamide

Structural Information

Molecular Formula
C8H8N2O
SMILES
C=CC(=O)NC1=CN=CC=C1
InChI
InChI=1S/C8H8N2O/c1-2-8(11)10-7-4-3-5-9-6-7/h2-6H,1H2,(H,10,11)
InChIKey
RMJWTHQXDHWUKO-UHFFFAOYSA-N
Compound name
N-pyridin-3-ylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

60
Patents

148.06366 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.07094 129.1
[M+Na]+ 171.05288 136.5
[M-H]- 147.05638 131.5
[M+NH4]+ 166.09748 148.6
[M+K]+ 187.02682 134.5
[M+H-H2O]+ 131.06092 122.5
[M+HCOO]- 193.06186 153.4
[M+CH3COO]- 207.07751 176.1
[M+Na-2H]- 169.03833 137.1
[M]+ 148.06311 127.8
[M]- 148.06421 127.8
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