CID 3041350

53970-65-3

Structural Information

Molecular Formula

C₁₂H₁₁BrN₂

SMILES

C1CC2=C(C3=C(C=CC(=C3)Br)N=C2C1)N

InChI

InChI=1S/C12H11BrN2/c13-7-4-5-11-9(6-7)12(14)8-2-1-3-10(8)15-11/h4-6H,1-3H2,(H2,14,15)

InChIKey

VGQLZUNFVYTFBF-UHFFFAOYSA-N

Compound name

7-bromo-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 262.01056 Da
Monoisotopic Mass: 2.9
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]+	263.01784	152.8
[M+Na]+	284.99978	165.4
[M-H]-	261.00328	159.4
[M+NH4]+	280.04438	175.5
[M+K]+	300.97372	152.9
[M+H-H2O]+	245.00782	152.5
[M+HCOO]-	307.00876	172.2
[M+CH3COO]-	321.02441	167.3
[M+Na-2H]-	282.98523	159.7
[M]+	262.01001	169.3
[M]-	262.01111	169.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe