CID 90310449

6-bromo-3-ethyl-1h-indole

Structural Information

Molecular Formula

C₁₀H₁₀BrN

SMILES

CCC1=CNC2=C1C=CC(=C2)Br

InChI

InChI=1S/C10H10BrN/c1-2-7-6-12-10-5-8(11)3-4-9(7)10/h3-6,12H,2H2,1H3

InChIKey

ANRGLSVKOGXYMB-UHFFFAOYSA-N

Compound name

6-bromo-3-ethyl-1H-indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 222.99966 Da
Monoisotopic Mass: 3.9
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]+	224.00694	143.1
[M+Na]+	245.98888	147.8
[M+NH4]+	241.03348	148.9
[M+K]+	261.96282	147.7
[M-H]-	221.99238	143.8
[M+Na-2H]-	243.97433	146.7
[M]+	222.99911	142.8
[M]-	223.00021	142.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe