CID 40849

L-alpha-aminomethyltryptamine

Structural Information

Molecular Formula

C₁₁H₁₅N₃

SMILES

C1=CC=C2C(=C1)C(=CN2)CC(CN)N

InChI

InChI=1S/C11H15N3/c12-6-9(13)5-8-7-14-11-4-2-1-3-10(8)11/h1-4,7,9,14H,5-6,12-13H2

InChIKey

WOXRSEJZTSQBNQ-UHFFFAOYSA-N

Compound name

3-(1H-indol-3-yl)propane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 189.1266 Da
Monoisotopic Mass: 0.7
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]+	190.13388	140.8
[M+Na]+	212.11582	151.2
[M+NH4]+	207.16042	149.1
[M+K]+	228.08976	147.2
[M-H]-	188.11932	143.1
[M+Na-2H]-	210.10127	146.4
[M]+	189.12605	142.6
[M]-	189.12715	142.6

Literature stripe

literature stripe

Patent stripe

patents stripe