CID 1833

5-methoxytryptamine

Structural Information

Molecular Formula

C₁₁H₁₄N₂O

SMILES

COC1=CC2=C(C=C1)NC=C2CCN

InChI

InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3

InChIKey

JTEJPPKMYBDEMY-UHFFFAOYSA-N

Compound name

2-(5-methoxy-1H-indol-3-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 787
References: 3282
Patents: 190.11061 Da
Monoisotopic Mass: 0.5
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]+	191.11789	139.8
[M+Na]+	213.09983	149.4
[M-H]-	189.10333	142.0
[M+NH4]+	208.14443	160.4
[M+K]+	229.07377	145.2
[M+H-H2O]+	173.10787	133.6
[M+HCOO]-	235.10881	163.7
[M+CH3COO]-	249.12446	183.0
[M+Na-2H]-	211.08528	146.2
[M]+	190.11006	140.7
[M]-	190.11116	140.7

Literature stripe

literature stripe

Patent stripe

patents stripe