CID 216827

Brn 1797369

Structural Information

Molecular Formula

C₁₀H₂₂NO₃PS₂

SMILES

CCN(CC)C(=O)CSP(=S)(OCC)OCC

InChI

InChI=1S/C10H22NO3PS2/c1-5-11(6-2)10(12)9-17-15(16,13-7-3)14-8-4/h5-9H2,1-4H3

InChIKey

TVFXFQRFCPWSFX-UHFFFAOYSA-N

Compound name

2-diethoxyphosphinothioylsulfanyl-N,N-diethylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 299.07788 Da
Monoisotopic Mass: 2.6
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]+	300.08516	165.2
[M+Na]+	322.06710	169.2
[M-H]-	298.07060	164.7
[M+NH4]+	317.11170	181.7
[M+K]+	338.04104	167.3
[M+H-H2O]+	282.07514	155.9
[M+HCOO]-	344.07608	182.0
[M+CH3COO]-	358.09173	207.1
[M+Na-2H]-	320.05255	161.6
[M]+	299.07733	173.6
[M]-	299.07843	173.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe