CID 4096

Methamidophos

Structural Information

Molecular Formula
C2H8NO2PS
SMILES
COP(=O)(N)SC
InChI
InChI=1S/C2H8NO2PS/c1-5-6(3,4)7-2/h1-2H3,(H2,3,4)
InChIKey
NNKVPIKMPCQWCG-UHFFFAOYSA-N
Compound name
[amino(methylsulfanyl)phosphoryl]oxymethane
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

467
References

35990
Patents

141.00134 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.008616 125.1
[M+Na]+ 163.990558 133.1
[M-H]- 139.994064 124.4
[M+NH4]+ 159.035163 147.3
[M+K]+ 179.964498 132.7
[M+H-H2O]+ 123.998600 118.3
[M+HCOO]- 185.999541 149.6
[M+CH3COO]- 200.015191 173.3
[M+Na-2H]- 161.976006 127.1
[M]+ 141.00079142 128.1
[M]- 141.00188858 128.1
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