CID 20705014

4-acetyl-2-methylpyridine

Structural Information

Molecular Formula
C8H9NO
SMILES
CC1=NC=CC(=C1)C(=O)C
InChI
InChI=1S/C8H9NO/c1-6-5-8(7(2)10)3-4-9-6/h3-5H,1-2H3
InChIKey
NIGBUKPEJHINOG-UHFFFAOYSA-N
Compound name
1-(2-methylpyridin-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

337
Patents

135.06842 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.07570 126.3
[M+Na]+ 158.05764 140.0
[M+NH4]+ 153.10224 135.0
[M+K]+ 174.03158 133.8
[M-H]- 134.06114 128.1
[M+Na-2H]- 156.04309 133.9
[M]+ 135.06787 128.7
[M]- 135.06897 128.7
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

patents stripe