CID 13310812

4-amino-7-methoxytryptamine

Structural Information

Molecular Formula

C₁₁H₁₅N₃O

SMILES

COC1=C2C(=C(C=C1)N)C(=CN2)CCN

InChI

InChI=1S/C11H15N3O/c1-15-9-3-2-8(13)10-7(4-5-12)6-14-11(9)10/h2-3,6,14H,4-5,12-13H2,1H3

InChIKey

QEJUALPAIWFNBD-UHFFFAOYSA-N

Compound name

3-(2-aminoethyl)-7-methoxy-1H-indol-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 205.1215 Da
Monoisotopic Mass: 0.7
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]+	206.12878	143.8
[M+Na]+	228.11072	154.9
[M+NH4]+	223.15532	151.6
[M+K]+	244.08466	150.9
[M-H]-	204.11422	145.9
[M+Na-2H]-	226.09617	148.7
[M]+	205.12095	145.7
[M]-	205.12205	145.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.