CID 2743912

35370-88-8

Structural Information

Molecular Formula

C₁₂H₁₇NOS

SMILES

CC(C)(C)C1=CC=C(C=C1)OCC(=S)N

InChI

InChI=1S/C12H17NOS/c1-12(2,3)9-4-6-10(7-5-9)14-8-11(13)15/h4-7H,8H2,1-3H3,(H2,13,15)

InChIKey

MAYZZYWCWZYHOE-UHFFFAOYSA-N

Compound name

2-(4-tert-butylphenoxy)ethanethioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 10
Patents: 223.10309 Da
Monoisotopic Mass: 3.1
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]+	224.11037	152.5
[M+Na]+	246.09231	162.9
[M+NH4]+	241.13691	160.7
[M+K]+	262.06625	155.4
[M-H]-	222.09581	154.5
[M+Na-2H]-	244.07776	157.6
[M]+	223.10254	155.0
[M]-	223.10364	155.0

Literature stripe

literature stripe

Patent stripe

patents stripe