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 139.4
[M+Na]+ 199.04780 149.0
[M-H]- 175.05130 138.9
[M+NH4]+ 194.09240 155.0
[M+K]+ 215.02174 145.0
[M+H-H2O]+ 159.05584 126.8
[M+HCOO]- 221.05678 156.1
[M+CH3COO]- 235.07243 186.1
[M+Na-2H]- 197.03325 144.0
[M]+ 176.05803 132.1
[M]- 176.05913 132.1
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.