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: 35
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]+	224.006936	141.4
[M+Na]+	245.988878	155.4
[M-H]-	221.992384	146.9
[M+NH4]+	241.033483	164.8
[M+K]+	261.962818	143.0
[M+H-H2O]+	205.996920	142.0
[M+HCOO]-	267.997861	162.6
[M+CH3COO]-	282.013511	157.2
[M+Na-2H]-	243.974326	149.5
[M]+	222.99911142	160.7
[M]-	223.00020858	160.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe