CID 43165346

1-(2-methylpropyl)-1h-indol-5-amine

Structural Information

Molecular Formula

C₁₂H₁₆N₂

SMILES

CC(C)CN1C=CC2=C1C=CC(=C2)N

InChI

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

InChIKey

DYLXFJYFIPXDMN-UHFFFAOYSA-N

Compound name

1-(2-methylpropyl)indol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 188.13135 Da
Monoisotopic Mass: 2.6
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]+	189.138626	141.9
[M+Na]+	211.120568	151.2
[M-H]-	187.124074	145.3
[M+NH4]+	206.165173	163.2
[M+K]+	227.094508	147.7
[M+H-H2O]+	171.128610	135.5
[M+HCOO]-	233.129551	165.7
[M+CH3COO]-	247.145201	187.4
[M+Na-2H]-	209.106016	146.9
[M]+	188.13080142	142.8
[M]-	188.13189858	142.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe