CID 24018762

1059630-11-3

Structural Information

Molecular Formula

C₁₁H₁₁BrN₂

SMILES

C1CNCC2=C1NC3=C2C=CC=C3Br

InChI

InChI=1S/C11H11BrN2/c12-9-3-1-2-7-8-6-13-5-4-10(8)14-11(7)9/h1-3,13-14H,4-6H2

InChIKey

CVPTVXYOVFWZJZ-UHFFFAOYSA-N

Compound name

6-bromo-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 115
Patents: 250.01056 Da
Monoisotopic Mass: 2.2
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]+	251.01784	151.2
[M+Na]+	272.99978	155.0
[M+NH4]+	268.04438	156.8
[M+K]+	288.97372	155.1
[M-H]-	249.00328	151.4
[M+Na-2H]-	270.98523	153.1
[M]+	250.01001	150.5
[M]-	250.01111	150.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe