CID 11299039

3-bromo-1,2-dimethyl-1h-indole

Structural Information

Molecular Formula

C₁₀H₁₀BrN

SMILES

CC1=C(C2=CC=CC=C2N1C)Br

InChI

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

InChIKey

IWOBAONZGDLVQJ-UHFFFAOYSA-N

Compound name

3-bromo-1,2-dimethylindole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 13
Patents: 222.99966 Da
Monoisotopic Mass: 3.0
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	141.6
[M+Na]+	245.98888	147.1
[M+NH4]+	241.03348	147.8
[M+K]+	261.96282	147.0
[M-H]-	221.99238	142.9
[M+Na-2H]-	243.97433	145.6
[M]+	222.99911	141.7
[M]-	223.00021	141.7

Literature stripe

literature stripe

Patent stripe

patents stripe