CID 461358

8-(pentyloxy)quinoline

Structural Information

Molecular Formula

C₁₄H₁₇NO

SMILES

CCCCCOC1=CC=CC2=C1N=CC=C2

InChI

InChI=1S/C14H17NO/c1-2-3-4-11-16-13-9-5-7-12-8-6-10-15-14(12)13/h5-10H,2-4,11H2,1H3

InChIKey

MCSSXTNPNAFECE-UHFFFAOYSA-N

Compound name

8-pentoxyquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 215.13101 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]+	216.138286	148.8
[M+Na]+	238.120228	156.4
[M-H]-	214.123734	151.5
[M+NH4]+	233.164833	167.3
[M+K]+	254.094168	152.8
[M+H-H2O]+	198.128270	141.2
[M+HCOO]-	260.129211	170.5
[M+CH3COO]-	274.144861	189.6
[M+Na-2H]-	236.105676	156.9
[M]+	215.13046142	151.5
[M]-	215.13155858	151.5

Literature stripe

literature stripe

Patent stripe

patents stripe