CID 460078

2,8-dicyclobutyl-4-methylquinoline

Structural Information

Molecular Formula
C18H21N
SMILES
CC1=CC(=NC2=C1C=CC=C2C3CCC3)C4CCC4
InChI
InChI=1S/C18H21N/c1-12-11-17(14-7-3-8-14)19-18-15(12)9-4-10-16(18)13-5-2-6-13/h4,9-11,13-14H,2-3,5-8H2,1H3
InChIKey
YUTLOFKNYFSWNW-UHFFFAOYSA-N
Compound name
2,8-di(cyclobutyl)-4-methylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

251.1674 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.17468 146.5
[M+Na]+ 274.15662 151.8
[M-H]- 250.16012 154.3
[M+NH4]+ 269.20122 150.7
[M+K]+ 290.13056 153.1
[M+H-H2O]+ 234.16466 129.5
[M+HCOO]- 296.16560 162.6
[M+CH3COO]- 310.18125 208.8
[M+Na-2H]- 272.14207 150.7
[M]+ 251.16685 160.7
[M]- 251.16795 160.7
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.