CID 57416823

4-ethynylpyridin-2(1h)-one

Structural Information

Molecular Formula
C7H5NO
SMILES
C#CC1=CC(=O)NC=C1
InChI
InChI=1S/C7H5NO/c1-2-6-3-4-8-7(9)5-6/h1,3-5H,(H,8,9)
InChIKey
PWWRIYINHRKVFL-UHFFFAOYSA-N
Compound name
4-ethynyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

119.03712 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.044396 122.0
[M+Na]+ 142.026338 133.4
[M-H]- 118.029844 122.0
[M+NH4]+ 137.070943 140.2
[M+K]+ 158.000278 129.3
[M+H-H2O]+ 102.034380 110.4
[M+HCOO]- 164.035321 139.1
[M+CH3COO]- 178.050971 175.6
[M+Na-2H]- 140.011786 128.9
[M]+ 119.03657142 115.0
[M]- 119.03766858 115.0
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.