CID 200278

1h-indole, 3-(ethylthio)-

Structural Information

Molecular Formula

C₁₀H₁₁NS

SMILES

CCSC1=CNC2=CC=CC=C21

InChI

InChI=1S/C10H11NS/c1-2-12-10-7-11-9-6-4-3-5-8(9)10/h3-7,11H,2H2,1H3

InChIKey

GVTSOZQVZDCGAQ-UHFFFAOYSA-N

Compound name

3-ethylsulfanyl-1H-indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 177.06122 Da
Monoisotopic Mass: 2.6
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]+	178.06850	135.2
[M+Na]+	200.05044	149.0
[M+NH4]+	195.09504	145.6
[M+K]+	216.02438	140.8
[M-H]-	176.05394	138.0
[M+Na-2H]-	198.03589	142.0
[M]+	177.06067	138.6
[M]-	177.06177	138.6

Literature stripe

literature stripe

Patent stripe

patents stripe