CID 529344

142896-11-5

Structural Information

Molecular Formula
C10H11NO
SMILES
CC(=C)C1=CC(=NC=C1)C(=O)C
InChI
InChI=1S/C10H11NO/c1-7(2)9-4-5-11-10(6-9)8(3)12/h4-6H,1H2,2-3H3
InChIKey
QGALSOGFUDWZMF-UHFFFAOYSA-N
Compound name
1-(4-prop-1-en-2-ylpyridin-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

55
Patents

161.08406 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.09134 132.7
[M+Na]+ 184.07328 140.8
[M-H]- 160.07678 135.2
[M+NH4]+ 179.11788 152.3
[M+K]+ 200.04722 138.8
[M+H-H2O]+ 144.08132 126.5
[M+HCOO]- 206.08226 154.3
[M+CH3COO]- 220.09791 180.1
[M+Na-2H]- 182.05873 137.5
[M]+ 161.08351 132.7
[M]- 161.08461 132.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe