CID 19712

Stauffer r-5979

Structural Information

Molecular Formula

C₆H₁₄NO₄PS₃

SMILES

COP(=S)(OC)SCSCCOC(=O)N

InChI

InChI=1S/C6H14NO4PS3/c1-9-12(13,10-2)15-5-14-4-3-11-6(7)8/h3-5H2,1-2H3,(H2,7,8)

InChIKey

UVUWCTMVUUPDDF-UHFFFAOYSA-N

Compound name

2-(dimethoxyphosphinothioylsulfanylmethylsulfanyl)ethyl carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 290.98227 Da
Monoisotopic Mass: 1.7
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]+	291.98955	155.3
[M+Na]+	313.97149	159.5
[M-H]-	289.97499	152.1
[M+NH4]+	309.01609	170.2
[M+K]+	329.94543	154.7
[M+H-H2O]+	273.97953	145.8
[M+HCOO]-	335.98047	166.3
[M+CH3COO]-	349.99612	198.8
[M+Na-2H]-	311.95694	152.7
[M]+	290.98172	159.5
[M]-	290.98282	159.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe