CID 92037

56165-57-2

Structural Information

Molecular Formula

C₉H₂₁O₄PS₂

SMILES

CCOP(=O)(OCC)SCS(=O)C(C)(C)C

InChI

InChI=1S/C9H21O4PS2/c1-6-12-14(10,13-7-2)15-8-16(11)9(3,4)5/h6-8H2,1-5H3

InChIKey

KHPIRTIPNKMGNN-UHFFFAOYSA-N

Compound name

2-(diethoxyphosphorylsulfanylmethylsulfinyl)-2-methylpropane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 4
Patents: 288.0619 Da
Monoisotopic Mass: 0.5
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]+	289.06918	162.5
[M+Na]+	311.05112	167.8
[M-H]-	287.05462	161.1
[M+NH4]+	306.09572	179.2
[M+K]+	327.02506	165.9
[M+H-H2O]+	271.05916	154.4
[M+HCOO]-	333.06010	177.3
[M+CH3COO]-	347.07575	198.5
[M+Na-2H]-	309.03657	160.9
[M]+	288.06135	171.0
[M]-	288.06245	171.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe