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: 20
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]+	224.006936	139.9
[M+Na]+	245.988878	155.3
[M-H]-	221.992384	147.1
[M+NH4]+	241.033483	164.4
[M+K]+	261.962818	143.9
[M+H-H2O]+	205.996920	140.6
[M+HCOO]-	267.997861	162.6
[M+CH3COO]-	282.013511	156.9
[M+Na-2H]-	243.974326	148.0
[M]+	222.99911142	161.4
[M]-	223.00020858	161.4

Literature stripe

literature stripe

Patent stripe

patents stripe