CID 59005

5-methylthiotryptamine hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₄N₂S

SMILES

CSC1=CC2=C(C=C1)NC=C2CCN

InChI

InChI=1S/C11H14N2S/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3

InChIKey

GPVGTFCMHIZIKO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 206.08777 Da
Monoisotopic Mass: 1.1
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]+	207.09505	143.3
[M+Na]+	229.07699	155.6
[M+NH4]+	224.12159	152.7
[M+K]+	245.05093	148.1
[M-H]-	205.08049	146.1
[M+Na-2H]-	227.06244	148.9
[M]+	206.08722	146.3
[M]-	206.08832	146.3

Literature stripe

literature stripe

Patent stripe

patents stripe