CID 151900

4-methylthioamphetamine

Structural Information

Molecular Formula

C₁₀H₁₅NS

SMILES

CC(CC1=CC=C(C=C1)SC)N

InChI

InChI=1S/C10H15NS/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6,8H,7,11H2,1-2H3

InChIKey

OLEWMKVPSUCNLG-UHFFFAOYSA-N

Compound name

1-(4-methylsulfanylphenyl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 49
References: 728
Patents: 181.09251 Da
Monoisotopic Mass: 2.3
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]+	182.099786	138.8
[M+Na]+	204.081728	145.8
[M-H]-	180.085234	142.1
[M+NH4]+	199.126333	159.1
[M+K]+	220.055668	142.6
[M+H-H2O]+	164.089770	132.9
[M+HCOO]-	226.090711	157.0
[M+CH3COO]-	240.106361	184.3
[M+Na-2H]-	202.067176	140.6
[M]+	181.09196142	139.2
[M]-	181.09305858	139.2

Literature stripe

literature stripe

Patent stripe

patents stripe