CID 57607116

5-bromo-1-ethyl-2,3-dihydro-1h-indole

Structural Information

Molecular Formula

C₁₀H₁₂BrN

SMILES

CCN1CCC2=C1C=CC(=C2)Br

InChI

InChI=1S/C10H12BrN/c1-2-12-6-5-8-7-9(11)3-4-10(8)12/h3-4,7H,2,5-6H2,1H3

InChIKey

ATBOIVVGHOULCR-UHFFFAOYSA-N

Compound name

5-bromo-1-ethyl-2,3-dihydroindole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 225.0153 Da
Monoisotopic Mass: 3.1
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]+	226.02258	145.3
[M+Na]+	248.00452	148.9
[M+NH4]+	243.04912	151.4
[M+K]+	263.97846	148.9
[M-H]-	224.00802	146.2
[M+Na-2H]-	245.98997	147.9
[M]+	225.01475	144.9
[M]-	225.01585	144.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe