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	149.1
[M+Na]+	272.99978	161.4
[M-H]-	249.00328	152.3
[M+NH4]+	268.04438	170.1
[M+K]+	288.97372	148.0
[M+H-H2O]+	233.00782	149.2
[M+HCOO]-	295.00876	164.5
[M+CH3COO]-	309.02441	162.6
[M+Na-2H]-	270.98523	156.9
[M]+	250.01001	163.7
[M]-	250.01111	163.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe