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

8
Annotation Hits: 153
References: 33476
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	148.3
[M+Na]+	248.07157	156.8
[M-H]-	224.07507	152.7
[M+NH4]+	243.11617	167.6
[M+K]+	264.04551	154.2
[M+H-H2O]+	208.07961	142.3
[M+HCOO]-	270.08055	167.4
[M+CH3COO]-	284.09620	192.1
[M+Na-2H]-	246.05702	149.5
[M]+	225.08180	152.9
[M]-	225.08290	152.9

Literature stripe

literature stripe

Patent stripe

patents stripe