CID 15480709

5-acetoxy-n,n-dimethyltryptamine

Structural Information

Molecular Formula
C14H18N2O2
SMILES
CC(=O)OC1=CC2=C(C=C1)NC=C2CCN(C)C
InChI
InChI=1S/C14H18N2O2/c1-10(17)18-12-4-5-14-13(8-12)11(9-15-14)6-7-16(2)3/h4-5,8-9,15H,6-7H2,1-3H3
InChIKey
BZFGYTBVFYYKOK-UHFFFAOYSA-N
Compound name
[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl] acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

51
Patents

246.13683 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.144106 156.7
[M+Na]+ 269.126048 164.9
[M-H]- 245.129554 160.4
[M+NH4]+ 264.170653 175.6
[M+K]+ 285.099988 162.3
[M+H-H2O]+ 229.134090 149.6
[M+HCOO]- 291.135031 180.0
[M+CH3COO]- 305.150681 197.5
[M+Na-2H]- 267.111496 160.5
[M]+ 246.13628142 160.7
[M]- 246.13737858 160.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe