CID 71308138

4-acetoxyethylmethyltryptamine

Structural Information

Molecular Formula

C₁₅H₂₀N₂O₂

SMILES

CCN(C)CCC1=CNC2=C1C(=CC=C2)OC(=O)C

InChI

InChI=1S/C15H20N2O2/c1-4-17(3)9-8-12-10-16-13-6-5-7-14(15(12)13)19-11(2)18/h5-7,10,16H,4,8-9H2,1-3H3

InChIKey

OMDKHOOGGJRLLX-UHFFFAOYSA-N

Compound name

[3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-4-yl] acetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 160
Patents: 260.15247 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]+	261.159746	161.4
[M+Na]+	283.141688	169.1
[M-H]-	259.145194	164.9
[M+NH4]+	278.186293	179.8
[M+K]+	299.115628	166.3
[M+H-H2O]+	243.149730	154.2
[M+HCOO]-	305.150671	184.4
[M+CH3COO]-	319.166321	200.5
[M+Na-2H]-	281.127136	164.6
[M]+	260.15192142	165.8
[M]-	260.15301858	165.8

Literature stripe

literature stripe

Patent stripe

patents stripe