CID 504076

2,8-dibutyl-4-methylquinoline

Structural Information

Molecular Formula
C18H25N
SMILES
CCCCC1=C2C(=CC=C1)C(=CC(=N2)CCCC)C
InChI
InChI=1S/C18H25N/c1-4-6-9-15-10-8-12-17-14(3)13-16(11-7-5-2)19-18(15)17/h8,10,12-13H,4-7,9,11H2,1-3H3
InChIKey
CCAOIMOPQQHQNU-UHFFFAOYSA-N
Compound name
2,8-dibutyl-4-methylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

255.1987 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.20598 163.7
[M+Na]+ 278.18792 171.5
[M-H]- 254.19142 166.4
[M+NH4]+ 273.23252 181.2
[M+K]+ 294.16186 166.5
[M+H-H2O]+ 238.19596 156.0
[M+HCOO]- 300.19690 183.8
[M+CH3COO]- 314.21255 201.9
[M+Na-2H]- 276.17337 168.1
[M]+ 255.19815 167.2
[M]- 255.19925 167.2
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.