CID 2735266

71680-92-7

Structural Information

Molecular Formula

C₉H₁₀N₂OS

SMILES

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

InChI

InChI=1S/C9H10N2OS/c1-6(12)7-2-4-8(5-3-7)11-9(10)13/h2-5H,1H3,(H3,10,11,13)

InChIKey

VVIUKYOXYSWCOF-UHFFFAOYSA-N

Compound name

(4-acetylphenyl)thiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 101
Patents: 194.05139 Da
Monoisotopic Mass: 1.3
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]+	195.05867	141.5
[M+Na]+	217.04061	151.2
[M+NH4]+	212.08521	149.4
[M+K]+	233.01455	144.3
[M-H]-	193.04411	143.9
[M+Na-2H]-	215.02606	146.7
[M]+	194.05084	143.7
[M]-	194.05194	143.7

Literature stripe

literature stripe

Patent stripe

patents stripe