CID 4605882

5-bromo-1-isopropyl-1h-indole

Structural Information

Molecular Formula

C₁₁H₁₂BrN

SMILES

CC(C)N1C=CC2=C1C=CC(=C2)Br

InChI

InChI=1S/C11H12BrN/c1-8(2)13-6-5-9-7-10(12)3-4-11(9)13/h3-8H,1-2H3

InChIKey

NCPAGYRFULVTEU-UHFFFAOYSA-N

Compound name

5-bromo-1-propan-2-ylindole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 237.0153 Da
Monoisotopic Mass: 3.4
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]+	238.02258	145.3
[M+Na]+	260.00452	150.0
[M+NH4]+	255.04912	151.3
[M+K]+	275.97846	150.3
[M-H]-	236.00802	146.4
[M+Na-2H]-	257.98997	149.1
[M]+	237.01475	145.2
[M]-	237.01585	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe