CID 616095

8-methyl-2-(2-methylphenyl)quinoline

Structural Information

Molecular Formula
C17H15N
SMILES
CC1=C2C(=CC=C1)C=CC(=N2)C3=CC=CC=C3C
InChI
InChI=1S/C17H15N/c1-12-6-3-4-9-15(12)16-11-10-14-8-5-7-13(2)17(14)18-16/h3-11H,1-2H3
InChIKey
VSMKVRALQUJRDN-UHFFFAOYSA-N
Compound name
8-methyl-2-(2-methylphenyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

233.12045 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.127726 153.0
[M+Na]+ 256.109668 162.7
[M-H]- 232.113174 159.7
[M+NH4]+ 251.154273 170.9
[M+K]+ 272.083608 157.1
[M+H-H2O]+ 216.117710 144.6
[M+HCOO]- 278.118651 174.9
[M+CH3COO]- 292.134301 166.0
[M+Na-2H]- 254.095116 160.5
[M]+ 233.11990142 153.4
[M]- 233.12099858 153.4
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