CID 3041348

Brn 0396178

Structural Information

Molecular Formula

C₁₂H₁₁ClN₂

SMILES

C1CC2=C(C1)N=C3C(=C2N)C=CC=C3Cl

InChI

InChI=1S/C12H11ClN2/c13-9-5-1-4-8-11(14)7-3-2-6-10(7)15-12(8)9/h1,4-5H,2-3,6H2,(H2,14,15)

InChIKey

LCECMIAATYVQDB-UHFFFAOYSA-N

Compound name

5-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 218.06108 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]+	219.068356	146.1
[M+Na]+	241.050298	156.8
[M-H]-	217.053804	150.0
[M+NH4]+	236.094903	168.0
[M+K]+	257.024238	150.6
[M+H-H2O]+	201.058340	140.2
[M+HCOO]-	263.059281	163.2
[M+CH3COO]-	277.074931	159.3
[M+Na-2H]-	239.035746	151.9
[M]+	218.06053142	146.1
[M]-	218.06162858	146.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe