CID 130642532

N-(pyridin-4-yl)but-2-ynamide

Structural Information

Molecular Formula
C9H8N2O
SMILES
CC#CC(=O)NC1=CC=NC=C1
InChI
InChI=1S/C9H8N2O/c1-2-3-9(12)11-8-4-6-10-7-5-8/h4-7H,1H3,(H,10,11,12)
InChIKey
ABLPCOVUBUHFRO-UHFFFAOYSA-N
Compound name
N-pyridin-4-ylbut-2-ynamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.06366 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.070936 135.4
[M+Na]+ 183.052878 144.4
[M-H]- 159.056384 135.8
[M+NH4]+ 178.097483 152.1
[M+K]+ 199.026818 141.1
[M+H-H2O]+ 143.060920 122.4
[M+HCOO]- 205.061861 153.1
[M+CH3COO]- 219.077511 186.2
[M+Na-2H]- 181.038326 141.3
[M]+ 160.06311142 128.8
[M]- 160.06420858 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.