CID 120518

1009-10-5

Structural Information

Molecular Formula

C₁₀H₁₅NS

SMILES

CN(C)CC(C1=CC=CC=C1)S

InChI

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

InChIKey

VEOBVOOUKKPIEX-UHFFFAOYSA-N

Compound name

2-(dimethylamino)-1-phenylethanethiol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 181.09251 Da
Monoisotopic Mass: 2.5
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	139.0
[M+Na]+	204.081728	145.2
[M-H]-	180.085234	144.0
[M+NH4]+	199.126333	159.9
[M+K]+	220.055668	143.9
[M+H-H2O]+	164.089770	132.6
[M+HCOO]-	226.090711	158.3
[M+CH3COO]-	240.106361	187.4
[M+Na-2H]-	202.067176	141.8
[M]+	181.09196142	141.3
[M]-	181.09305858	141.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe