CID 22009

Mas 805

Structural Information

Molecular Formula

C₁₄H₁₅ClN₂

SMILES

C1CCC2=C(CC1)N=C3C(=C2N)C=CC=C3Cl

InChI

InChI=1S/C14H15ClN2/c15-11-7-4-6-10-13(16)9-5-2-1-3-8-12(9)17-14(10)11/h4,6-7H,1-3,5,8H2,(H2,16,17)

InChIKey

KUXRCNIQUKGCGU-UHFFFAOYSA-N

Compound name

4-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 246.09238 Da
Monoisotopic Mass: 3.9
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]+	247.099656	152.2
[M+Na]+	269.081598	160.9
[M-H]-	245.085104	156.7
[M+NH4]+	264.126203	170.3
[M+K]+	285.055538	158.8
[M+H-H2O]+	229.089640	146.3
[M+HCOO]-	291.090581	166.5
[M+CH3COO]-	305.106231	163.8
[M+Na-2H]-	267.067046	158.7
[M]+	246.09183142	147.9
[M]-	246.09292858	147.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.