CID 6090

N,n-diethyltryptamine

Structural Information

Molecular Formula
C14H20N2
SMILES
CCN(CC)CCC1=CNC2=CC=CC=C21
InChI
InChI=1S/C14H20N2/c1-3-16(4-2)10-9-12-11-15-14-8-6-5-7-13(12)14/h5-8,11,15H,3-4,9-10H2,1-2H3
InChIKey
LSSUMOWDTKZHHT-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-(1H-indol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

8
References

346
Patents

216.16264 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.169916 150.8
[M+Na]+ 239.151858 158.3
[M-H]- 215.155364 154.0
[M+NH4]+ 234.196463 170.9
[M+K]+ 255.125798 154.6
[M+H-H2O]+ 199.159900 143.6
[M+HCOO]- 261.160841 174.6
[M+CH3COO]- 275.176491 192.9
[M+Na-2H]- 237.137306 156.5
[M]+ 216.16209142 153.1
[M]- 216.16318858 153.1
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