CID 59837413

2-methyl-2-phenylpropanethioamide

Structural Information

Molecular Formula

C₁₀H₁₃NS

SMILES

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

InChI

InChI=1S/C10H13NS/c1-10(2,9(11)12)8-6-4-3-5-7-8/h3-7H,1-2H3,(H2,11,12)

InChIKey

VLQJIACSHPWLGU-UHFFFAOYSA-N

Compound name

2-methyl-2-phenylpropanethioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 179.07687 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]+	180.08415	140.3
[M+Na]+	202.06609	151.3
[M+NH4]+	197.11069	149.5
[M+K]+	218.04003	143.5
[M-H]-	178.06959	142.9
[M+Na-2H]-	200.05154	146.6
[M]+	179.07632	143.1
[M]-	179.07742	143.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe