CID 76073

Ciba c-2428

Structural Information

Molecular Formula

C₈H₁₈NO₄PS₂

SMILES

CC(C)N(C(=O)CSP(=S)(OC)OC)OC

InChI

InChI=1S/C8H18NO4PS2/c1-7(2)9(11-3)8(10)6-16-14(15,12-4)13-5/h7H,6H2,1-5H3

InChIKey

UOGTWQOXQJLFEG-UHFFFAOYSA-N

Compound name

2-dimethoxyphosphinothioylsulfanyl-N-methoxy-N-propan-2-ylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 287.04147 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]+	288.048746	159.1
[M+Na]+	310.030688	163.3
[M-H]-	286.034194	158.9
[M+NH4]+	305.075293	175.8
[M+K]+	326.004628	162.9
[M+H-H2O]+	270.038730	150.1
[M+HCOO]-	332.039671	175.7
[M+CH3COO]-	346.055321	204.0
[M+Na-2H]-	308.016136	155.9
[M]+	287.04092142	167.5
[M]-	287.04201858	167.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.