CID 23156633

6-(benzyloxy)quinoline

Structural Information

Molecular Formula

C₁₆H₁₃NO

SMILES

C1=CC=C(C=C1)COC2=CC3=C(C=C2)N=CC=C3

InChI

InChI=1S/C16H13NO/c1-2-5-13(6-3-1)12-18-15-8-9-16-14(11-15)7-4-10-17-16/h1-11H,12H2

InChIKey

LQNGSCMDXDEBEI-UHFFFAOYSA-N

Compound name

6-phenylmethoxyquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 235.09972 Da
Monoisotopic Mass: 3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	236.10700	152.8
[M+Na]+	258.08894	170.1
[M+NH4]+	253.13354	163.1
[M+K]+	274.06288	160.2
[M-H]-	234.09244	158.8
[M+Na-2H]-	256.07439	164.4
[M]+	235.09917	157.3
[M]-	235.10027	157.3

Literature stripe

literature stripe

Patent stripe

patents stripe