CID 2760966

2-tert-butyl-1h-indol-5-amine

Structural Information

Molecular Formula

C₁₂H₁₆N₂

SMILES

CC(C)(C)C1=CC2=C(N1)C=CC(=C2)N

InChI

InChI=1S/C12H16N2/c1-12(2,3)11-7-8-6-9(13)4-5-10(8)14-11/h4-7,14H,13H2,1-3H3

InChIKey

PKUZLTGNTQQVTH-UHFFFAOYSA-N

Compound name

2-tert-butyl-1H-indol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 125
Patents: 188.13135 Da
Monoisotopic Mass: 2.7
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	141.7
[M+Na]+	211.12057	154.0
[M+NH4]+	206.16517	150.5
[M+K]+	227.09451	149.7
[M-H]-	187.12407	143.7
[M+Na-2H]-	209.10602	147.9
[M]+	188.13080	144.0
[M]-	188.13190	144.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe