CID 77158

5-bromotryptamine

Structural Information

Molecular Formula

C₁₀H₁₁BrN₂

SMILES

C1=CC2=C(C=C1Br)C(=CN2)CCN

InChI

InChI=1S/C10H11BrN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3-4,12H2

InChIKey

CGHUQJRRADEHTQ-UHFFFAOYSA-N

Compound name

2-(5-bromo-1H-indol-3-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 7
References: 308
Patents: 238.01056 Da
Monoisotopic Mass: 1.3
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]+	239.017836	145.3
[M+Na]+	260.999778	158.2
[M-H]-	237.003284	150.1
[M+NH4]+	256.044383	167.4
[M+K]+	276.973718	145.2
[M+H-H2O]+	221.007820	145.0
[M+HCOO]-	283.008761	166.8
[M+CH3COO]-	297.024411	160.2
[M+Na-2H]-	258.985226	152.8
[M]+	238.01001142	162.9
[M]-	238.01110858	162.9

Literature stripe

literature stripe

Patent stripe

patents stripe