CID 6089

N,n-dimethyltryptamine

Structural Information

Molecular Formula

C₁₂H₁₆N₂

SMILES

CN(C)CCC1=CNC2=CC=CC=C21

InChI

InChI=1S/C12H16N2/c1-14(2)8-7-10-9-13-12-6-4-3-5-11(10)12/h3-6,9,13H,7-8H2,1-2H3

InChIKey

DMULVCHRPCFFGV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 548
References: 3551
Patents: 188.13135 Da
Monoisotopic Mass: 2.5
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]+	189.13863	141.3
[M+Na]+	211.12057	154.1
[M+NH4]+	206.16517	150.7
[M+K]+	227.09451	148.5
[M-H]-	187.12407	144.3
[M+Na-2H]-	209.10602	148.5
[M]+	188.13080	144.0
[M]-	188.13190	144.0

Literature stripe

literature stripe

Patent stripe

patents stripe