CID 477874

2-cyclohexyl-4-methyl-quinoline

Structural Information

Molecular Formula
C16H19N
SMILES
CC1=CC(=NC2=CC=CC=C12)C3CCCCC3
InChI
InChI=1S/C16H19N/c1-12-11-16(13-7-3-2-4-8-13)17-15-10-6-5-9-14(12)15/h5-6,9-11,13H,2-4,7-8H2,1H3
InChIKey
KACQZCHGLDZBFG-UHFFFAOYSA-N
Compound name
2-cyclohexyl-4-methylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

20
Patents

225.15175 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.159026 152.2
[M+Na]+ 248.140968 158.2
[M-H]- 224.144474 157.5
[M+NH4]+ 243.185573 169.8
[M+K]+ 264.114908 153.4
[M+H-H2O]+ 208.149010 143.7
[M+HCOO]- 270.149951 170.1
[M+CH3COO]- 284.165601 163.6
[M+Na-2H]- 246.126416 157.8
[M]+ 225.15120142 147.5
[M]- 225.15229858 147.5
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