CID 477893

2-pentyl-4-methylquinoline

Structural Information

Molecular Formula
C15H19N
SMILES
CCCCCC1=NC2=CC=CC=C2C(=C1)C
InChI
InChI=1S/C15H19N/c1-3-4-5-8-13-11-12(2)14-9-6-7-10-15(14)16-13/h6-7,9-11H,3-5,8H2,1-2H3
InChIKey
IPTOYACYRPMHTI-UHFFFAOYSA-N
Compound name
4-methyl-2-pentylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

213.15175 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.15903 149.8
[M+Na]+ 236.14097 158.1
[M-H]- 212.14447 152.8
[M+NH4]+ 231.18557 168.8
[M+K]+ 252.11491 153.7
[M+H-H2O]+ 196.14901 142.5
[M+HCOO]- 258.14995 171.0
[M+CH3COO]- 272.16560 191.8
[M+Na-2H]- 234.12642 156.7
[M]+ 213.15120 151.9
[M]- 213.15230 151.9
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