CID 81728

4-benzyl-2-methylpyridine

Structural Information

Molecular Formula
C13H13N
SMILES
CC1=NC=CC(=C1)CC2=CC=CC=C2
InChI
InChI=1S/C13H13N/c1-11-9-13(7-8-14-11)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKey
FDFSVELZJFUAKL-UHFFFAOYSA-N
Compound name
4-benzyl-2-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
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 139.1
[M+Na]+ 206.094018 147.2
[M-H]- 182.097524 144.5
[M+NH4]+ 201.138623 157.6
[M+K]+ 222.067958 143.4
[M+H-H2O]+ 166.102060 131.4
[M+HCOO]- 228.103001 162.6
[M+CH3COO]- 242.118651 152.6
[M+Na-2H]- 204.079466 147.3
[M]+ 183.10425142 138.7
[M]- 183.10534858 138.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe