CID 268124

1-(2,4,6-trimethylpyridin-3-yl)ethan-1-one

Structural Information

Molecular Formula
C10H13NO
SMILES
CC1=CC(=NC(=C1C(=O)C)C)C
InChI
InChI=1S/C10H13NO/c1-6-5-7(2)11-8(3)10(6)9(4)12/h5H,1-4H3
InChIKey
RKNKTACHKMTWTD-UHFFFAOYSA-N
Compound name
1-(2,4,6-trimethylpyridin-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

163.09972 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.10700 132.5
[M+Na]+ 186.08894 142.5
[M-H]- 162.09244 135.8
[M+NH4]+ 181.13354 152.9
[M+K]+ 202.06288 140.8
[M+H-H2O]+ 146.09698 126.8
[M+HCOO]- 208.09792 155.0
[M+CH3COO]- 222.11357 182.4
[M+Na-2H]- 184.07439 137.2
[M]+ 163.09917 134.7
[M]- 163.10027 134.7
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