CID 44629964

2-hexyl-6-phenylpyridine

Structural Information

Molecular Formula
C17H21N
SMILES
CCCCCCC1=NC(=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C17H21N/c1-2-3-4-8-12-16-13-9-14-17(18-16)15-10-6-5-7-11-15/h5-7,9-11,13-14H,2-4,8,12H2,1H3
InChIKey
CIPJZUAHRIZGJN-UHFFFAOYSA-N
Compound name
2-hexyl-6-phenylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.1674 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.17468 158.7
[M+Na]+ 262.15662 174.4
[M+NH4]+ 257.20122 168.2
[M+K]+ 278.13056 164.2
[M-H]- 238.16012 164.0
[M+Na-2H]- 260.14207 169.1
[M]+ 239.16685 162.7
[M]- 239.16795 162.7
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

No patent data available for this compound.