CID 27303

2-(1h-indol-3-yl)-2-methylpropan-1-amine

Structural Information

Molecular Formula

C₁₂H₁₆N₂

SMILES

CC(C)(CN)C1=CNC2=CC=CC=C21

InChI

InChI=1S/C12H16N2/c1-12(2,8-13)10-7-14-11-6-4-3-5-9(10)11/h3-7,14H,8,13H2,1-2H3

InChIKey

BRRFYKZLWPFRQZ-UHFFFAOYSA-N

Compound name

2-(1H-indol-3-yl)-2-methylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57
Patents: 188.13135 Da
Monoisotopic Mass: 2.4
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]+	189.13863	141.6
[M+Na]+	211.12057	153.6
[M+NH4]+	206.16517	150.4
[M+K]+	227.09451	149.0
[M-H]-	187.12407	143.5
[M+Na-2H]-	209.10602	148.0
[M]+	188.13080	143.8
[M]-	188.13190	143.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe