CID 3054956

2-pyridineacetamide, alpha,alpha-diallyl-

Structural Information

Molecular Formula
C13H16N2O
SMILES
C=CCC(CC=C)(C1=CC=CC=N1)C(=O)N
InChI
InChI=1S/C13H16N2O/c1-3-8-13(9-4-2,12(14)16)11-7-5-6-10-15-11/h3-7,10H,1-2,8-9H2,(H2,14,16)
InChIKey
WTHQHCWJMUZKAQ-UHFFFAOYSA-N
Compound name
2-prop-2-enyl-2-pyridin-2-ylpent-4-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.12627 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.13355 151.2
[M+Na]+ 239.11549 157.1
[M-H]- 215.11899 152.4
[M+NH4]+ 234.16009 167.6
[M+K]+ 255.08943 153.2
[M+H-H2O]+ 199.12353 144.2
[M+HCOO]- 261.12447 171.8
[M+CH3COO]- 275.14012 190.7
[M+Na-2H]- 237.10094 156.1
[M]+ 216.12572 149.5
[M]- 216.12682 149.5
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

No patent data available for this compound.