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

20
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

literature stripe

Patent stripe

patents stripe