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

1
Annotation Hits: 17
References: 309
Patents: 244.19395 Da
Monoisotopic Mass: 4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	245.20123	159.7
[M+Na]+	267.18317	171.6
[M+NH4]+	262.22777	168.4
[M+K]+	283.15711	165.0
[M-H]-	243.18667	162.5
[M+Na-2H]-	265.16862	165.8
[M]+	244.19340	162.2
[M]-	244.19450	162.2

Literature stripe

literature stripe

Patent stripe

patents stripe