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

57
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 142.7
[M+Na]+ 220.07328 158.4
[M+NH4]+ 215.11788 151.9
[M+K]+ 236.04722 150.5
[M-H]- 196.07678 147.2
[M+Na-2H]- 218.05873 153.3
[M]+ 197.08351 146.4
[M]- 197.08461 146.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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