CID 16248

Methiocarb

Structural Information

Molecular Formula

C₁₁H₁₅NO₂S

SMILES

CC1=CC(=CC(=C1SC)C)OC(=O)NC

InChI

InChI=1S/C11H15NO2S/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4/h5-6H,1-4H3,(H,12,13)

InChIKey

YFBPRJGDJKVWAH-UHFFFAOYSA-N

Compound name

(3,5-dimethyl-4-methylsulfanylphenyl) N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 153
References: 30271
Patents: 225.08235 Da
Monoisotopic Mass: 2.9
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]+	226.08963	150.5
[M+Na]+	248.07157	162.0
[M+NH4]+	243.11617	158.6
[M+K]+	264.04551	154.1
[M-H]-	224.07507	152.9
[M+Na-2H]-	246.05702	155.5
[M]+	225.08180	153.2
[M]-	225.08290	153.2

Literature stripe

literature stripe

Patent stripe

patents stripe