CID 6542

Amiton

Structural Information

Molecular Formula

C₁₀H₂₄NO₃PS

SMILES

CCN(CC)CCSP(=O)(OCC)OCC

InChI

InChI=1S/C10H24NO3PS/c1-5-11(6-2)9-10-16-15(12,13-7-3)14-8-4/h5-10H2,1-4H3

InChIKey

PJISLFCKHOHLLP-UHFFFAOYSA-N

Compound name

2-diethoxyphosphorylsulfanyl-N,N-diethylethanamine

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 5
References: 6822
Patents: 269.12146 Da
Monoisotopic Mass: 1.7
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]+	270.12874	163.8
[M+Na]+	292.11068	168.4
[M-H]-	268.11418	163.7
[M+NH4]+	287.15528	181.8
[M+K]+	308.08462	168.3
[M+H-H2O]+	252.11872	155.0
[M+HCOO]-	314.11966	187.2
[M+CH3COO]-	328.13531	203.7
[M+Na-2H]-	290.09613	162.7
[M]+	269.12091	173.6
[M]-	269.12201	173.6

Literature stripe

literature stripe

Patent stripe

patents stripe