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

104
Patents

219.1048 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.112076 148.3
[M+Na]+ 242.094018 157.5
[M-H]- 218.097524 154.8
[M+NH4]+ 237.138623 166.4
[M+K]+ 258.067958 152.0
[M+H-H2O]+ 202.102060 139.9
[M+HCOO]- 264.103001 170.5
[M+CH3COO]- 278.118651 161.4
[M+Na-2H]- 240.079466 157.1
[M]+ 219.10425142 148.0
[M]- 219.10534858 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