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 157.7
[M+Na]+ 262.15662 164.0
[M-H]- 238.16012 162.2
[M+NH4]+ 257.20122 173.8
[M+K]+ 278.13056 159.1
[M+H-H2O]+ 222.16466 149.0
[M+HCOO]- 284.16560 179.7
[M+CH3COO]- 298.18125 194.9
[M+Na-2H]- 260.14207 163.5
[M]+ 239.16685 158.6
[M]- 239.16795 158.6
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.