CID 10881647

2-[(1r)-1-(dimethylamino)ethyl]benzene-1-thiol lithium

Structural Information

Molecular Formula

C₁₀H₁₅NS

SMILES

C[C@H](C1=CC=CC=C1S)N(C)C

InChI

InChI=1S/C10H15NS/c1-8(11(2)3)9-6-4-5-7-10(9)12/h4-8,12H,1-3H3/t8-/m1/s1

InChIKey

VJMIMNPPYKERKN-MRVPVSSYSA-N

Compound name

2-[(1R)-1-(dimethylamino)ethyl]benzenethiol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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]+	182.09979	139.4
[M+Na]+	204.08173	151.5
[M+NH4]+	199.12633	149.4
[M+K]+	220.05567	143.1
[M-H]-	180.08523	143.4
[M+Na-2H]-	202.06718	146.4
[M]+	181.09196	142.8
[M]-	181.09306	142.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.