CID 10751317

5-propoxytryptamine

Structural Information

Molecular Formula

C₁₃H₁₈N₂O

SMILES

CCCOC1=CC2=C(C=C1)NC=C2CCN

InChI

InChI=1S/C13H18N2O/c1-2-7-16-11-3-4-13-12(8-11)10(5-6-14)9-15-13/h3-4,8-9,15H,2,5-7,14H2,1H3

InChIKey

SXHSCDTUUHPMSY-UHFFFAOYSA-N

Compound name

2-(5-propoxy-1H-indol-3-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 218.1419 Da
Monoisotopic Mass: 1.4
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]+	219.14918	149.3
[M+Na]+	241.13112	161.2
[M+NH4]+	236.17572	157.5
[M+K]+	257.10506	155.8
[M-H]-	217.13462	151.2
[M+Na-2H]-	239.11657	154.7
[M]+	218.14135	151.4
[M]-	218.14245	151.4

Literature stripe

literature stripe

Patent stripe

patents stripe