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-ethynyl-3-pyridinyl)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]+ 146.060036 128.7
[M+Na]+ 168.041978 139.4
[M-H]- 144.045484 129.7
[M+NH4]+ 163.086583 146.5
[M+K]+ 184.015918 136.0
[M+H-H2O]+ 128.050020 116.5
[M+HCOO]- 190.050961 145.7
[M+CH3COO]- 204.066611 184.2
[M+Na-2H]- 166.027426 134.1
[M]+ 145.05221142 123.4
[M]- 145.05330858 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.