CID 15754149

Schembl3234522

Structural Information

Molecular Formula

C₁₀H₁₅NS

SMILES

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

InChI

InChI=1S/C10H15NS/c1-10(2,11)8-5-4-6-9(7-8)12-3/h4-7H,11H2,1-3H3

InChIKey

WSINRSFEOHKJJA-UHFFFAOYSA-N

Compound name

2-(3-methylsulfanylphenyl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 181.09251 Da
Monoisotopic Mass: 1.9
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]+	182.09979	139.1
[M+Na]+	204.08173	146.8
[M-H]-	180.08523	142.6
[M+NH4]+	199.12633	159.6
[M+K]+	220.05567	143.5
[M+H-H2O]+	164.08977	133.7
[M+HCOO]-	226.09071	156.8
[M+CH3COO]-	240.10636	183.8
[M+Na-2H]-	202.06718	142.7
[M]+	181.09196	139.6
[M]-	181.09306	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe