CID 613021

2-(p-tolyl)quinoline

Structural Information

Molecular Formula
C16H13N
SMILES
CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C=C2
InChI
InChI=1S/C16H13N/c1-12-6-8-14(9-7-12)16-11-10-13-4-2-3-5-15(13)17-16/h2-11H,1H3
InChIKey
WOVRXMQYJDFRON-UHFFFAOYSA-N
Compound name
2-(4-methylphenyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

219.1048 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.11208 148.3
[M+Na]+ 242.09402 157.5
[M-H]- 218.09752 154.8
[M+NH4]+ 237.13862 166.4
[M+K]+ 258.06796 152.0
[M+H-H2O]+ 202.10206 139.9
[M+HCOO]- 264.10300 170.5
[M+CH3COO]- 278.11865 161.4
[M+Na-2H]- 240.07947 157.1
[M]+ 219.10425 148.0
[M]- 219.10535 148.0
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