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

150
Patents

260.15247 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.15975 161.4
[M+Na]+ 283.14169 169.1
[M-H]- 259.14519 164.9
[M+NH4]+ 278.18629 179.8
[M+K]+ 299.11563 166.3
[M+H-H2O]+ 243.14973 154.2
[M+HCOO]- 305.15067 184.4
[M+CH3COO]- 319.16632 200.5
[M+Na-2H]- 281.12714 164.6
[M]+ 260.15192 165.8
[M]- 260.15302 165.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.