CID 20976025

1159822-98-6

Structural Information

Molecular Formula

C₁₀H₁₁FN₂

SMILES

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

InChI

InChI=1S/C10H11FN2/c11-8-2-1-3-9-10(8)7(4-5-12)6-13-9/h1-3,6,13H,4-5,12H2

InChIKey

QTNVDKAISCZLHR-UHFFFAOYSA-N

Compound name

2-(4-fluoro-1H-indol-3-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 55
Patents: 178.09062 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]+	179.09790	134.8
[M+Na]+	201.07984	146.8
[M+NH4]+	196.12444	143.2
[M+K]+	217.05378	141.7
[M-H]-	177.08334	135.8
[M+Na-2H]-	199.06529	140.8
[M]+	178.09007	136.6
[M]-	178.09117	136.6

Literature stripe

literature stripe

Patent stripe

patents stripe