CID 17883611

1-(5-methoxypyridin-3-yl)ethanone

Structural Information

Molecular Formula
C8H9NO2
SMILES
CC(=O)C1=CC(=CN=C1)OC
InChI
InChI=1S/C8H9NO2/c1-6(10)7-3-8(11-2)5-9-4-7/h3-5H,1-2H3
InChIKey
NCDNULVIERIXPT-UHFFFAOYSA-N
Compound name
1-(5-methoxypyridin-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

151.06332 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.07060 129.5
[M+Na]+ 174.05254 142.6
[M+NH4]+ 169.09714 137.6
[M+K]+ 190.02648 137.0
[M-H]- 150.05604 130.7
[M+Na-2H]- 172.03799 136.5
[M]+ 151.06277 131.6
[M]- 151.06387 131.6
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