CID 28825138

8-(3-aminopropoxy)quinoline dihydrochloride

Structural Information

Molecular Formula

C₁₂H₁₄N₂O

SMILES

C1=CC2=C(C(=C1)OCCCN)N=CC=C2

InChI

InChI=1S/C12H14N2O/c13-7-3-9-15-11-6-1-4-10-5-2-8-14-12(10)11/h1-2,4-6,8H,3,7,9,13H2

InChIKey

MNYFCKIQWAXRBS-UHFFFAOYSA-N

Compound name

3-quinolin-8-yloxypropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 202.11061 Da
Monoisotopic Mass: 1.3
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]+	203.11789	143.3
[M+Na]+	225.09983	151.0
[M-H]-	201.10333	145.8
[M+NH4]+	220.14443	161.7
[M+K]+	241.07377	147.5
[M+H-H2O]+	185.10787	135.9
[M+HCOO]-	247.10881	166.2
[M+CH3COO]-	261.12446	187.7
[M+Na-2H]-	223.08528	152.0
[M]+	202.11006	143.7
[M]-	202.11116	143.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe