CID 17521

Methiocarb sulfoxide

Structural Information

Molecular Formula
C11H15NO3S
SMILES
CC1=CC(=CC(=C1S(=O)C)C)OC(=O)NC
InChI
InChI=1S/C11H15NO3S/c1-7-5-9(15-11(13)12-3)6-8(2)10(7)16(4)14/h5-6H,1-4H3,(H,12,13)
InChIKey
FNCMBMZOZQAWJA-UHFFFAOYSA-N
Compound name
(3,5-dimethyl-4-methylsulfinylphenyl) N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

9
References

17
Patents

241.07727 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.08455 151.0
[M+Na]+ 264.06649 159.2
[M-H]- 240.06999 155.4
[M+NH4]+ 259.11109 169.4
[M+K]+ 280.04043 157.0
[M+H-H2O]+ 224.07453 144.9
[M+HCOO]- 286.07547 169.4
[M+CH3COO]- 300.09112 194.4
[M+Na-2H]- 262.05194 151.1
[M]+ 241.07672 155.7
[M]- 241.07782 155.7
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.