CID 30241

5-methoxy-beta-methyltryptamine

Structural Information

Molecular Formula

C₁₂H₁₆N₂O

SMILES

CC(CN)C1=CNC2=C1C=C(C=C2)OC

InChI

InChI=1S/C12H16N2O/c1-8(6-13)11-7-14-12-4-3-9(15-2)5-10(11)12/h3-5,7-8,14H,6,13H2,1-2H3

InChIKey

PLKJXFPRSHOODN-UHFFFAOYSA-N

Compound name

2-(5-methoxy-1H-indol-3-yl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 8
Patents: 204.12627 Da
Monoisotopic Mass: 1.7
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]+	205.13355	144.9
[M+Na]+	227.11549	156.7
[M+NH4]+	222.16009	153.2
[M+K]+	243.08943	152.4
[M-H]-	203.11899	146.8
[M+Na-2H]-	225.10094	150.3
[M]+	204.12572	147.0
[M]-	204.12682	147.0

Literature stripe

literature stripe

Patent stripe

patents stripe