CID 74788232

Ethanone, 1-(5-ethynyl-3-pyridinyl)-

Structural Information

Molecular Formula
C9H7NO
SMILES
CC(=O)C1=CN=CC(=C1)C#C
InChI
InChI=1S/C9H7NO/c1-3-8-4-9(7(2)11)6-10-5-8/h1,4-6H,2H3
InChIKey
ONMZEMORUGKWJP-UHFFFAOYSA-N
Compound name
1-(5-ethynylpyridin-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.05276 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.06004 128.7
[M+Na]+ 168.04198 139.4
[M-H]- 144.04548 129.7
[M+NH4]+ 163.08658 146.5
[M+K]+ 184.01592 136.0
[M+H-H2O]+ 128.05002 116.5
[M+HCOO]- 190.05096 145.7
[M+CH3COO]- 204.06661 184.2
[M+Na-2H]- 166.02743 134.1
[M]+ 145.05221 123.4
[M]- 145.05331 123.4
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.