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

7
Annotation Hits: 786
References: 3166
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	140.1
[M+Na]+	213.09983	152.4
[M+NH4]+	208.14443	148.6
[M+K]+	229.07377	147.6
[M-H]-	189.10333	142.1
[M+Na-2H]-	211.08528	146.1
[M]+	190.11006	142.3
[M]-	190.11116	142.3

Literature stripe

literature stripe

Patent stripe

patents stripe