CID 360252

2613384-12-4

Structural Information

Molecular Formula

C₁₂H₁₅BrN₂

SMILES

CN(C)CCC1=CNC2=C1C=C(C=C2)Br

InChI

InChI=1S/C12H15BrN2/c1-15(2)6-5-9-8-14-12-4-3-10(13)7-11(9)12/h3-4,7-8,14H,5-6H2,1-2H3

InChIKey

ATEYZYQLBQUZJE-UHFFFAOYSA-N

Compound name

2-(5-bromo-1H-indol-3-yl)-N,N-dimethylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 167
Patents: 266.04187 Da
Monoisotopic Mass: 2.2
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]+	267.04915	154.9
[M+Na]+	289.03109	158.3
[M+NH4]+	284.07569	160.2
[M+K]+	305.00503	158.6
[M-H]-	265.03459	156.1
[M+Na-2H]-	287.01654	158.0
[M]+	266.04132	154.5
[M]-	266.04242	154.5

Literature stripe

literature stripe

Patent stripe

patents stripe