CID 131084589

N-(4-hydroxypyridin-3-yl)but-2-ynamide

Structural Information

Molecular Formula
C9H8N2O2
SMILES
CC#CC(=O)NC1=CNC=CC1=O
InChI
InChI=1S/C9H8N2O2/c1-2-3-9(13)11-7-6-10-5-4-8(7)12/h4-6H,1H3,(H,10,12)(H,11,13)
InChIKey
WTORJWQXZMEPAL-UHFFFAOYSA-N
Compound name
N-(4-oxo-1H-pyridin-3-yl)but-2-ynamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.05858 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.06586 139.5
[M+Na]+ 199.04780 150.5
[M+NH4]+ 194.09240 142.6
[M+K]+ 215.02174 142.2
[M-H]- 175.05130 131.9
[M+Na-2H]- 197.03325 141.9
[M]+ 176.05803 137.8
[M]- 176.05913 137.8
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.