CID 10548

Echothiophate

Structural Information

Molecular Formula

C₉H₂₃NO₃PS

SMILES

CCOP(=O)(OCC)SCC[N+](C)(C)C

InChI

InChI=1S/C9H23NO3PS/c1-6-12-14(11,13-7-2)15-9-8-10(3,4)5/h6-9H2,1-5H3/q+1

InChIKey

BJOLKYGKSZKIGU-UHFFFAOYSA-N

Compound name

2-diethoxyphosphorylsulfanylethyl(trimethyl)azanium

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 428
References: 7201
Patents: 256.11362 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]+	257.12090	154.8
[M+Na]+	279.10284	163.8
[M+NH4]+	274.14744	162.3
[M+K]+	295.07678	158.8
[M-H]-	255.10634	154.7
[M+Na-2H]-	277.08829	157.5
[M]+	256.11307	156.7
[M]-	256.11417	156.7

Literature stripe

literature stripe

Patent stripe

patents stripe