CID 27669

16066-90-3

Structural Information

Molecular Formula

SMILES

CC1=CC=C(C=C1)SC(=O)NC

InChI

InChI=1S/C9H11NOS/c1-7-3-5-8(6-4-7)12-9(11)10-2/h3-6H,1-2H3,(H,10,11)

InChIKey

QGAUXQOYLNHWDG-UHFFFAOYSA-N

Compound name

S-(4-methylphenyl) N-methylcarbamothioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 181.05614 Da
Monoisotopic Mass: 2.4
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]+	182.06342	138.1
[M+Na]+	204.04536	149.8
[M+NH4]+	199.08996	147.2
[M+K]+	220.01930	141.5
[M-H]-	180.04886	141.1
[M+Na-2H]-	202.03081	144.6
[M]+	181.05559	141.0
[M]-	181.05669	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.