CID 18986306

169674-88-8

Structural Information

Molecular Formula

C₁₀H₁₁ClN₂

SMILES

C1=CC2=C(C=CN2CCN)C=C1Cl

InChI

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

InChIKey

LYEMDBHRTLIDHR-UHFFFAOYSA-N

Compound name

2-(5-chloroindol-1-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 194.06108 Da
Monoisotopic Mass: 1.6
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]+	195.06836	139.5
[M+Na]+	217.05030	150.7
[M-H]-	193.05380	142.8
[M+NH4]+	212.09490	161.4
[M+K]+	233.02424	145.2
[M+H-H2O]+	177.05834	133.7
[M+HCOO]-	239.05928	160.3
[M+CH3COO]-	253.07493	153.6
[M+Na-2H]-	215.03575	146.1
[M]+	194.06053	142.3
[M]-	194.06163	142.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe