CID 76924

3-(2-bromoethyl)-1h-indole

Structural Information

Molecular Formula

C₁₀H₁₀BrN

SMILES

C1=CC=C2C(=C1)C(=CN2)CCBr

InChI

InChI=1S/C10H10BrN/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2

InChIKey

NTLAICDKHHQUGC-UHFFFAOYSA-N

Compound name

3-(2-bromoethyl)-1H-indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 865
Patents: 222.99966 Da
Monoisotopic Mass: 3.3
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	143.6
[M+Na]+	245.98888	147.9
[M+NH4]+	241.03348	149.4
[M+K]+	261.96282	147.7
[M-H]-	221.99238	144.3
[M+Na-2H]-	243.97433	147.4
[M]+	222.99911	143.2
[M]-	223.00021	143.2

Literature stripe

literature stripe

Patent stripe

patents stripe