CID 91911

8-quinolinol, 7-(2-ethyl-1-hexen-1-yl)-

Structural Information

Molecular Formula

C₁₇H₂₁NO

SMILES

CCCCC(=CC1=C(C2=C(C=CC=N2)C=C1)O)CC

InChI

InChI=1S/C17H21NO/c1-3-5-7-13(4-2)12-15-10-9-14-8-6-11-18-16(14)17(15)19/h6,8-12,19H,3-5,7H2,1-2H3

InChIKey

KVXNGMXXHWBFRX-UHFFFAOYSA-N

Compound name

7-(2-ethylhex-1-enyl)quinolin-8-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 255.16231 Da
Monoisotopic Mass: 5.4
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]+	256.169586	162.3
[M+Na]+	278.151528	169.2
[M-H]-	254.155034	163.6
[M+NH4]+	273.196133	178.6
[M+K]+	294.125468	163.9
[M+H-H2O]+	238.159570	154.9
[M+HCOO]-	300.160511	180.6
[M+CH3COO]-	314.176161	196.5
[M+Na-2H]-	276.136976	166.3
[M]+	255.16176142	163.2
[M]-	255.16285858	163.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe