CID 504074

2-hexyl-4-methylquinoline

Structural Information

Molecular Formula
C16H21N
SMILES
CCCCCCC1=NC2=CC=CC=C2C(=C1)C
InChI
InChI=1S/C16H21N/c1-3-4-5-6-9-14-12-13(2)15-10-7-8-11-16(15)17-14/h7-8,10-12H,3-6,9H2,1-2H3
InChIKey
AVQOQWIDKGOSAM-UHFFFAOYSA-N
Compound name
2-hexyl-4-methylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

227.1674 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.17468 154.5
[M+Na]+ 250.15662 162.3
[M-H]- 226.16012 157.3
[M+NH4]+ 245.20122 172.9
[M+K]+ 266.13056 157.7
[M+H-H2O]+ 210.16466 147.0
[M+HCOO]- 272.16560 175.4
[M+CH3COO]- 286.18125 194.8
[M+Na-2H]- 248.14207 160.8
[M]+ 227.16685 156.9
[M]- 227.16795 156.9
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

patents stripe