CID 9568700

Aldicarb sulfoxide

Structural Information

Molecular Formula
C7H14N2O3S
SMILES
CC(C)(/C=N/OC(=O)NC)S(=O)C
InChI
InChI=1S/C7H14N2O3S/c1-7(2,13(4)11)5-9-12-6(10)8-3/h5H,1-4H3,(H,8,10)/b9-5+
InChIKey
BXPMAGSOWXBZHS-WEVVVXLNSA-N
Compound name
[(E)-(2-methyl-2-methylsulfinylpropylidene)amino] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

43
References

176
Patents

206.07251 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.07979 144.8
[M+Na]+ 229.06173 150.8
[M-H]- 205.06523 146.6
[M+NH4]+ 224.10633 164.3
[M+K]+ 245.03567 150.7
[M+H-H2O]+ 189.06977 138.9
[M+HCOO]- 251.07071 163.8
[M+CH3COO]- 265.08636 189.6
[M+Na-2H]- 227.04718 147.6
[M]+ 206.07196 148.8
[M]- 206.07306 148.8
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.