CID 3020573

5-methyl-2-(p-tolyl)pyridine

Structural Information

Molecular Formula
C13H13N
SMILES
CC1=CC=C(C=C1)C2=NC=C(C=C2)C
InChI
InChI=1S/C13H13N/c1-10-3-6-12(7-4-10)13-8-5-11(2)9-14-13/h3-9H,1-2H3
InChIKey
PTBRNAVGPWOGSE-UHFFFAOYSA-N
Compound name
5-methyl-2-(4-methylphenyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

374
Patents

183.1048 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.112076 138.8
[M+Na]+ 206.094018 147.9
[M-H]- 182.097524 144.6
[M+NH4]+ 201.138623 157.6
[M+K]+ 222.067958 144.1
[M+H-H2O]+ 166.102060 131.3
[M+HCOO]- 228.103001 162.3
[M+CH3COO]- 242.118651 152.6
[M+Na-2H]- 204.079466 146.2
[M]+ 183.10425142 138.8
[M]- 183.10534858 138.8
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