CID 13153306

61220-49-3

Structural Information

Molecular Formula

C₁₁H₁₂BrN

SMILES

CN1C=C(C2=CC=CC=C21)CCBr

InChI

InChI=1S/C11H12BrN/c1-13-8-9(6-7-12)10-4-2-3-5-11(10)13/h2-5,8H,6-7H2,1H3

InChIKey

GGGKTMYGNHOBHF-UHFFFAOYSA-N

Compound name

3-(2-bromoethyl)-1-methylindole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
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	145.2
[M+Na]+	260.00452	159.3
[M-H]-	236.00802	151.9
[M+NH4]+	255.04912	168.8
[M+K]+	275.97846	147.7
[M+H-H2O]+	220.01256	145.5
[M+HCOO]-	282.01350	167.6
[M+CH3COO]-	296.02915	161.3
[M+Na-2H]-	257.98997	153.4
[M]+	237.01475	166.6
[M]-	237.01585	166.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe