CID 510120

1-(2-bromoethyl)-4,7-dimethoxy-indole

Structural Information

Molecular Formula

C₁₂H₁₄BrNO₂

SMILES

COC1=C2C=CN(C2=C(C=C1)OC)CCBr

InChI

InChI=1S/C12H14BrNO2/c1-15-10-3-4-11(16-2)12-9(10)5-7-14(12)8-6-13/h3-5,7H,6,8H2,1-2H3

InChIKey

PQNMUCSSKFXBFT-UHFFFAOYSA-N

Compound name

1-(2-bromoethyl)-4,7-dimethoxyindole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 283.02078 Da
Monoisotopic Mass: 2.6
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]+	284.02806	155.3
[M+Na]+	306.01000	169.3
[M-H]-	282.01350	162.0
[M+NH4]+	301.05460	177.1
[M+K]+	321.98394	158.4
[M+H-H2O]+	266.01804	155.0
[M+HCOO]-	328.01898	177.5
[M+CH3COO]-	342.03463	197.1
[M+Na-2H]-	303.99545	162.1
[M]+	283.02023	179.9
[M]-	283.02133	179.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.