CID 156403

76579-52-7

Structural Information

Molecular Formula

C₁₁H₁₅NOS

SMILES

CN(C)C(=S)CC1=CC=C(C=C1)OC

InChI

InChI=1S/C11H15NOS/c1-12(2)11(14)8-9-4-6-10(13-3)7-5-9/h4-7H,8H2,1-3H3

InChIKey

OHDHFDYXYQEOQI-UHFFFAOYSA-N

Compound name

2-(4-methoxyphenyl)-N,N-dimethylethanethioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 209.08743 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]+	210.09471	146.7
[M+Na]+	232.07665	158.1
[M+NH4]+	227.12125	155.7
[M+K]+	248.05059	149.9
[M-H]-	208.08015	149.9
[M+Na-2H]-	230.06210	152.9
[M]+	209.08688	149.7
[M]-	209.08798	149.7

Literature stripe

literature stripe

Patent stripe

patents stripe