CID 11230141

5-bromo-2,3,3-trimethyl-3h-indole

Structural Information

Molecular Formula

C₁₁H₁₂BrN

SMILES

CC1=NC2=C(C1(C)C)C=C(C=C2)Br

InChI

InChI=1S/C11H12BrN/c1-7-11(2,3)9-6-8(12)4-5-10(9)13-7/h4-6H,1-3H3

InChIKey

OUWLZEOAVCFTAQ-UHFFFAOYSA-N

Compound name

5-bromo-2,3,3-trimethylindole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 129
Patents: 237.0153 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]+	238.02258	147.8
[M+Na]+	260.00452	152.4
[M+NH4]+	255.04912	155.0
[M+K]+	275.97846	150.9
[M-H]-	236.00802	148.9
[M+Na-2H]-	257.98997	152.1
[M]+	237.01475	147.9
[M]-	237.01585	147.9

Literature stripe

literature stripe

Patent stripe

patents stripe