CID 17087

7-methoxytryptamine

Structural Information

Molecular Formula

C₁₁H₁₄N₂O

SMILES

COC1=CC=CC2=C1NC=C2CCN

InChI

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

InChIKey

ZUJIGHUQQNOCAM-UHFFFAOYSA-N

Compound name

2-(7-methoxy-1H-indol-3-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 138
Patents: 190.11061 Da
Monoisotopic Mass: 1.3
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