CID 190999

39856-16-1

Structural Information

Molecular Formula

C₆H₁₁N₂O₅PS₂

SMILES

COC1=NN(C(=O)S1)CSP(=O)(OC)OC

InChI

InChI=1S/C6H11N2O5PS2/c1-11-5-7-8(6(9)16-5)4-15-14(10,12-2)13-3/h4H2,1-3H3

InChIKey

IJJYBBGONNNPOR-UHFFFAOYSA-N

Compound name

3-(dimethoxyphosphorylsulfanylmethyl)-5-methoxy-1,3,4-thiadiazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 285.9847 Da
Monoisotopic Mass: 0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	286.99198	158.6
[M+Na]+	308.97392	166.3
[M+NH4]+	304.01852	163.5
[M+K]+	324.94786	162.0
[M-H]-	284.97742	155.9
[M+Na-2H]-	306.95937	159.2
[M]+	285.98415	159.4
[M]-	285.98525	159.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe