CID 15437

Aldicarb-sulfoxide

Structural Information

Molecular Formula
C7H14N2O3S
SMILES
CC(C)(C=NOC(=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)
InChIKey
BXPMAGSOWXBZHS-UHFFFAOYSA-N
Compound name
[(2-methyl-2-methylsulfinylpropylidene)amino] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

43
References

215
Patents

206.07251 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.079786 144.8
[M+Na]+ 229.061728 150.8
[M-H]- 205.065234 146.6
[M+NH4]+ 224.106333 164.3
[M+K]+ 245.035668 150.7
[M+H-H2O]+ 189.069770 138.9
[M+HCOO]- 251.070711 163.8
[M+CH3COO]- 265.086361 189.6
[M+Na-2H]- 227.047176 147.6
[M]+ 206.07196142 148.8
[M]- 206.07305858 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

literature stripe

Patent stripe

patents stripe