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]+ 240.174676 157.7
[M+Na]+ 262.156618 164.0
[M-H]- 238.160124 162.2
[M+NH4]+ 257.201223 173.8
[M+K]+ 278.130558 159.1
[M+H-H2O]+ 222.164660 149.0
[M+HCOO]- 284.165601 179.7
[M+CH3COO]- 298.181251 194.9
[M+Na-2H]- 260.142066 163.5
[M]+ 239.16685142 158.6
[M]- 239.16794858 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.