CID 461356

8-propoxyquinoline

Structural Information

Molecular Formula

C₁₂H₁₃NO

SMILES

CCCOC1=CC=CC2=C1N=CC=C2

InChI

InChI=1S/C12H13NO/c1-2-9-14-11-7-3-5-10-6-4-8-13-12(10)11/h3-8H,2,9H2,1H3

InChIKey

TVKMIZIQTSXZCP-UHFFFAOYSA-N

Compound name

8-propoxyquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 21
Patents: 187.09972 Da
Monoisotopic Mass: 2.8
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]+	188.10700	139.4
[M+Na]+	210.08894	147.9
[M-H]-	186.09244	142.5
[M+NH4]+	205.13354	159.0
[M+K]+	226.06288	144.8
[M+H-H2O]+	170.09698	132.3
[M+HCOO]-	232.09792	161.8
[M+CH3COO]-	246.11357	183.6
[M+Na-2H]-	208.07439	148.6
[M]+	187.09917	141.4
[M]-	187.10027	141.4

Literature stripe

literature stripe

Patent stripe

patents stripe