CID 107379

5166-62-1

Structural Information

Molecular Formula

C₆H₁₂NO₂PS₃

SMILES

CC1CSC(=NP(=S)(OC)OC)S1

InChI

InChI=1S/C6H12NO2PS3/c1-5-4-12-6(13-5)7-10(11,8-2)9-3/h5H,4H2,1-3H3

InChIKey

HEPLRQNXDSXBOV-UHFFFAOYSA-N

Compound name

N-dimethoxyphosphinothioyl-4-methyl-1,3-dithiolan-2-imine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 256.97678 Da
Monoisotopic Mass: 2.0
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]+	257.98406	147.9
[M+Na]+	279.96600	154.9
[M-H]-	255.96950	150.5
[M+NH4]+	275.01060	167.7
[M+K]+	295.93994	151.1
[M+H-H2O]+	239.97404	139.7
[M+HCOO]-	301.97498	161.7
[M+CH3COO]-	315.99063	194.6
[M+Na-2H]-	277.95145	145.3
[M]+	256.97623	149.9
[M]-	256.97733	149.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe