CID 95292

5-acetyl-2-methylpyridine

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

0
References

621
Patents

135.06842 Da
Monoisotopic Mass

0.9
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

literature stripe

Patent stripe

patents stripe