CID 80559

2-(4-methoxybenzoyl)pyridine

Structural Information

Molecular Formula
C13H11NO2
SMILES
COC1=CC=C(C=C1)C(=O)C2=CC=CC=N2
InChI
InChI=1S/C13H11NO2/c1-16-11-7-5-10(6-8-11)13(15)12-4-2-3-9-14-12/h2-9H,1H3
InChIKey
ZYZQOYSKLICWGX-UHFFFAOYSA-N
Compound name
(4-methoxyphenyl)-pyridin-2-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

213.07898 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.08626 145.1
[M+Na]+ 236.06820 153.0
[M-H]- 212.07170 150.6
[M+NH4]+ 231.11280 162.0
[M+K]+ 252.04214 150.1
[M+H-H2O]+ 196.07624 137.0
[M+HCOO]- 258.07718 168.1
[M+CH3COO]- 272.09283 186.9
[M+Na-2H]- 234.05365 151.9
[M]+ 213.07843 146.2
[M]- 213.07953 146.2
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