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

33970
Patents

225.08235 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.