CID 131104051

N-(pyridin-2-yl)but-2-ynamide

Structural Information

Molecular Formula
C9H8N2O
SMILES
CC#CC(=O)NC1=CC=CC=N1
InChI
InChI=1S/C9H8N2O/c1-2-5-9(12)11-8-6-3-4-7-10-8/h3-4,6-7H,1H3,(H,10,11,12)
InChIKey
YQBUFRWZNWZGEO-UHFFFAOYSA-N
Compound name
N-pyridin-2-ylbut-2-ynamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.06366 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.07094 137.1
[M+Na]+ 183.05288 148.7
[M+NH4]+ 178.09748 141.3
[M+K]+ 199.02682 139.6
[M-H]- 159.05638 130.7
[M+Na-2H]- 181.03833 140.9
[M]+ 160.06311 136.0
[M]- 160.06421 136.0
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.