CID 198588

O,o-dimethyl s-isopropyl phosphorothioate

Structural Information

Molecular Formula

C₅H₁₃O₃PS

SMILES

CC(C)SP(=O)(OC)OC

InChI

InChI=1S/C5H13O3PS/c1-5(2)10-9(6,7-3)8-4/h5H,1-4H3

InChIKey

APNRBRNCRUKWCL-UHFFFAOYSA-N

Compound name

2-dimethoxyphosphorylsulfanylpropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 184.0323 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]+	185.03958	137.5
[M+Na]+	207.02152	144.8
[M-H]-	183.02502	137.2
[M+NH4]+	202.06612	158.6
[M+K]+	222.99546	145.2
[M+H-H2O]+	167.02956	130.6
[M+HCOO]-	229.03050	160.1
[M+CH3COO]-	243.04615	181.2
[M+Na-2H]-	205.00697	137.9
[M]+	184.03175	144.4
[M]-	184.03285	144.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe