CID 137191

2-benzylquinoline

Structural Information

Molecular Formula
C16H13N
SMILES
C1=CC=C(C=C1)CC2=NC3=CC=CC=C3C=C2
InChI
InChI=1S/C16H13N/c1-2-6-13(7-3-1)12-15-11-10-14-8-4-5-9-16(14)17-15/h1-11H,12H2
InChIKey
LLVHFJHCODIQJH-UHFFFAOYSA-N
Compound name
2-benzylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

142
Patents

219.1048 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.11208 148.2
[M+Na]+ 242.09402 156.4
[M-H]- 218.09752 154.2
[M+NH4]+ 237.13862 165.9
[M+K]+ 258.06796 150.9
[M+H-H2O]+ 202.10206 139.6
[M+HCOO]- 264.10300 170.4
[M+CH3COO]- 278.11865 160.9
[M+Na-2H]- 240.07947 157.7
[M]+ 219.10425 147.4
[M]- 219.10535 147.4
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