CID 68053

3147-20-4

Structural Information

Molecular Formula

C₈H₂₀NO₃PS

SMILES

CCOP(=O)(OCC)SCCN(C)C

InChI

InChI=1S/C8H20NO3PS/c1-5-11-13(10,12-6-2)14-8-7-9(3)4/h5-8H2,1-4H3

InChIKey

GRPHSFSJUDRMKP-UHFFFAOYSA-N

Compound name

2-diethoxyphosphorylsulfanyl-N,N-dimethylethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 5
Patents: 241.09015 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]+	242.09743	154.6
[M+Na]+	264.07937	160.0
[M-H]-	240.08287	154.9
[M+NH4]+	259.12397	173.7
[M+K]+	280.05331	160.4
[M+H-H2O]+	224.08741	146.2
[M+HCOO]-	286.08835	178.6
[M+CH3COO]-	300.10400	197.7
[M+Na-2H]-	262.06482	154.4
[M]+	241.08960	163.6
[M]-	241.09070	163.6

Literature stripe

literature stripe

Patent stripe

patents stripe