CID 6091

N,n-dipropyltryptamine

Structural Information

Molecular Formula
C16H24N2
SMILES
CCCN(CCC)CCC1=CNC2=CC=CC=C21
InChI
InChI=1S/C16H24N2/c1-3-10-18(11-4-2)12-9-14-13-17-16-8-6-5-7-15(14)16/h5-8,13,17H,3-4,9-12H2,1-2H3
InChIKey
BOOQTIHIKDDPRW-UHFFFAOYSA-N
Compound name
N-[2-(1H-indol-3-yl)ethyl]-N-propylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

18
References

313
Patents

244.19395 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.20123 160.2
[M+Na]+ 267.18317 166.8
[M-H]- 243.18667 162.9
[M+NH4]+ 262.22777 179.1
[M+K]+ 283.15711 162.5
[M+H-H2O]+ 227.19121 152.5
[M+HCOO]- 289.19215 183.3
[M+CH3COO]- 303.20780 198.9
[M+Na-2H]- 265.16862 164.7
[M]+ 244.19340 163.1
[M]- 244.19450 163.1
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