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: 29
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]+	238.022576	146.0
[M+Na]+	260.004518	159.7
[M-H]-	236.008024	152.7
[M+NH4]+	255.049123	169.5
[M+K]+	275.978458	148.4
[M+H-H2O]+	220.012560	146.3
[M+HCOO]-	282.013501	167.3
[M+CH3COO]-	296.029151	190.3
[M+Na-2H]-	257.989966	152.9
[M]+	237.01475142	166.7
[M]-	237.01584858	166.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe