CID 3034319

Methiuron

Structural Information

Molecular Formula

C₁₀H₁₄N₂S

SMILES

CC1=CC(=CC=C1)NC(=S)N(C)C

InChI

InChI=1S/C10H14N2S/c1-8-5-4-6-9(7-8)11-10(13)12(2)3/h4-7H,1-3H3,(H,11,13)

InChIKey

MMCJEAKINANSOL-UHFFFAOYSA-N

Compound name

1,1-dimethyl-3-(3-methylphenyl)thiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5796
Patents: 194.08777 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]+	195.095046	142.3
[M+Na]+	217.076988	149.0
[M-H]-	193.080494	147.6
[M+NH4]+	212.121593	162.6
[M+K]+	233.050928	146.8
[M+H-H2O]+	177.085030	135.7
[M+HCOO]-	239.085971	162.7
[M+CH3COO]-	253.101621	191.1
[M+Na-2H]-	215.062436	144.8
[M]+	194.08722142	143.3
[M]-	194.08831858	143.3

Literature stripe

literature stripe

Patent stripe

patents stripe