CID 145705

6-chlorotryptamine

Structural Information

Molecular Formula

C₁₀H₁₁ClN₂

SMILES

C1=CC2=C(C=C1Cl)NC=C2CCN

InChI

InChI=1S/C10H11ClN2/c11-8-1-2-9-7(3-4-12)6-13-10(9)5-8/h1-2,5-6,13H,3-4,12H2

InChIKey

LFASSSGQIDKFOU-UHFFFAOYSA-N

Compound name

2-(6-chloro-1H-indol-3-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 116
Patents: 194.06108 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]+	195.068356	139.6
[M+Na]+	217.050298	150.5
[M-H]-	193.053804	141.5
[M+NH4]+	212.094903	160.8
[M+K]+	233.024238	144.1
[M+H-H2O]+	177.058340	134.2
[M+HCOO]-	239.059281	158.9
[M+CH3COO]-	253.074931	153.1
[M+Na-2H]-	215.035746	145.8
[M]+	194.06053142	140.6
[M]-	194.06162858	140.6

Literature stripe

literature stripe

Patent stripe

patents stripe