CID 20481024

88884-40-6

Structural Information

Molecular Formula

C₉H₁₂N₂OS

SMILES

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

InChI

InChI=1S/C9H12N2OS/c1-6-5-7(12-2)3-4-8(6)11-9(10)13/h3-5H,1-2H3,(H3,10,11,13)

InChIKey

MHKDXGONFFBJBQ-UHFFFAOYSA-N

Compound name

(4-methoxy-2-methylphenyl)thiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 84
Patents: 196.06703 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]+	197.07431	141.9
[M+Na]+	219.05625	152.3
[M+NH4]+	214.10085	150.2
[M+K]+	235.03019	144.9
[M-H]-	195.05975	144.9
[M+Na-2H]-	217.04170	147.4
[M]+	196.06648	144.5
[M]-	196.06758	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe