CID 70790

2,6-diacetylpyridine

Structural Information

Molecular Formula
C9H9NO2
SMILES
CC(=O)C1=NC(=CC=C1)C(=O)C
InChI
InChI=1S/C9H9NO2/c1-6(11)8-4-3-5-9(10-8)7(2)12/h3-5H,1-2H3
InChIKey
BEZVGIHGZPLGBL-UHFFFAOYSA-N
Compound name
1-(6-acetylpyridin-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

31
References

1870
Patents

163.06332 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07060 133.1
[M+Na]+ 186.05254 145.8
[M+NH4]+ 181.09714 140.6
[M+K]+ 202.02648 140.6
[M-H]- 162.05604 133.9
[M+Na-2H]- 184.03799 139.4
[M]+ 163.06277 135.0
[M]- 163.06387 135.0
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