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

10
Patents

119.03712 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.04440 122.0
[M+Na]+ 142.02634 133.4
[M-H]- 118.02984 122.0
[M+NH4]+ 137.07094 140.2
[M+K]+ 158.00028 129.3
[M+H-H2O]+ 102.03438 110.4
[M+HCOO]- 164.03532 139.1
[M+CH3COO]- 178.05097 175.6
[M+Na-2H]- 140.01179 128.9
[M]+ 119.03657 115.0
[M]- 119.03767 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

patents stripe