CID 3018781

2-(4-methylbenzoyl)pyridine

Structural Information

Molecular Formula
C13H11NO
SMILES
CC1=CC=C(C=C1)C(=O)C2=CC=CC=N2
InChI
InChI=1S/C13H11NO/c1-10-5-7-11(8-6-10)13(15)12-4-2-3-9-14-12/h2-9H,1H3
InChIKey
BHDAKOZHMSQCFH-UHFFFAOYSA-N
Compound name
(4-methylphenyl)-pyridin-2-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

197.08406 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.09134 141.6
[M+Na]+ 220.07328 149.7
[M-H]- 196.07678 147.2
[M+NH4]+ 215.11788 159.3
[M+K]+ 236.04722 146.2
[M+H-H2O]+ 180.08132 133.8
[M+HCOO]- 242.08226 164.5
[M+CH3COO]- 256.09791 184.8
[M+Na-2H]- 218.05873 148.5
[M]+ 197.08351 141.3
[M]- 197.08461 141.3
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