CID 540145

3,5-diacetyl-2,6-dimethylpyridine

Structural Information

Molecular Formula
C11H13NO2
SMILES
CC1=C(C=C(C(=N1)C)C(=O)C)C(=O)C
InChI
InChI=1S/C11H13NO2/c1-6-10(8(3)13)5-11(9(4)14)7(2)12-6/h5H,1-4H3
InChIKey
RCACBGGDSKMOCT-UHFFFAOYSA-N
Compound name
1-(5-acetyl-2,6-dimethyl-3-pyridinyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

26
Patents

191.09464 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.101916 138.6
[M+Na]+ 214.083858 148.1
[M-H]- 190.087364 141.8
[M+NH4]+ 209.128463 157.6
[M+K]+ 230.057798 146.5
[M+H-H2O]+ 174.091900 132.6
[M+HCOO]- 236.092841 160.2
[M+CH3COO]- 250.108491 187.5
[M+Na-2H]- 212.069306 141.5
[M]+ 191.09409142 141.3
[M]- 191.09518858 141.3
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