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

Adduct m/z Predicted CCS (Ų)
[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
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.