CID 504078

2,8-dihexyl-4-methylquinoline

Structural Information

Molecular Formula
C22H33N
SMILES
CCCCCCC1=C2C(=CC=C1)C(=CC(=N2)CCCCCC)C
InChI
InChI=1S/C22H33N/c1-4-6-8-10-13-19-14-12-16-21-18(3)17-20(23-22(19)21)15-11-9-7-5-2/h12,14,16-17H,4-11,13,15H2,1-3H3
InChIKey
MNYMUYHKKYIWQR-UHFFFAOYSA-N
Compound name
2,8-dihexyl-4-methylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

311.2613 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.26858 182.3
[M+Na]+ 334.25052 188.3
[M-H]- 310.25402 184.1
[M+NH4]+ 329.29512 197.4
[M+K]+ 350.22446 182.2
[M+H-H2O]+ 294.25856 173.6
[M+HCOO]- 356.25950 200.9
[M+CH3COO]- 370.27515 213.8
[M+Na-2H]- 332.23597 184.4
[M]+ 311.26075 187.1
[M]- 311.26185 187.1
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

No patent data available for this compound.