CID 9568069

Mephospholan

Structural Information

Molecular Formula

C₈H₁₆NO₃PS₂

SMILES

CCOP(=O)(/N=C/1\SCC(S1)C)OCC

InChI

InChI=1S/C8H16NO3PS2/c1-4-11-13(10,12-5-2)9-8-14-6-7(3)15-8/h7H,4-6H2,1-3H3/b9-8+

InChIKey

LTQSAUHRSCMPLD-CMDGGOBGSA-N

Compound name

(E)-N-diethoxyphosphoryl-4-methyl-1,3-dithiolan-2-imine

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 1
References: 5819
Patents: 269.0309 Da
Monoisotopic Mass: 1.0
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]+	270.038176	154.2
[M+Na]+	292.020118	160.4
[M-H]-	268.023624	157.4
[M+NH4]+	287.064723	173.9
[M+K]+	307.994058	158.6
[M+H-H2O]+	252.028160	145.9
[M+HCOO]-	314.029101	173.6
[M+CH3COO]-	328.044751	197.1
[M+Na-2H]-	290.005566	152.0
[M]+	269.03035142	159.3
[M]-	269.03144858	159.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.