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 135.4
[M+Na]+ 183.05288 144.4
[M-H]- 159.05638 135.8
[M+NH4]+ 178.09748 152.1
[M+K]+ 199.02682 141.1
[M+H-H2O]+ 143.06092 122.4
[M+HCOO]- 205.06186 153.1
[M+CH3COO]- 219.07751 186.2
[M+Na-2H]- 181.03833 141.3
[M]+ 160.06311 128.8
[M]- 160.06421 128.8
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.