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: 89
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]+	251.017836	149.1
[M+Na]+	272.999778	161.4
[M-H]-	249.003284	152.3
[M+NH4]+	268.044383	170.1
[M+K]+	288.973718	148.0
[M+H-H2O]+	233.007820	149.2
[M+HCOO]-	295.008761	164.5
[M+CH3COO]-	309.024411	162.6
[M+Na-2H]-	270.985226	156.9
[M]+	250.01001142	163.7
[M]-	250.01110858	163.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe