CID 14716289

Cevimeline sulfoxide

Structural Information

Molecular Formula

C₁₀H₁₇NO₂S

SMILES

CC1OC2(CN3CCC2CC3)CS1=O

InChI

InChI=1S/C10H17NO2S/c1-8-13-10(7-14(8)12)6-11-4-2-9(10)3-5-11/h8-9H,2-7H2,1H3

InChIKey

CFUGNFXJXCPICM-UHFFFAOYSA-N

Compound name

2-methylspiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane] 3-oxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 215.098 Da
Monoisotopic Mass: -0.2
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]+	216.10528	141.0
[M+Na]+	238.08722	146.8
[M-H]-	214.09072	139.7
[M+NH4]+	233.13182	166.0
[M+K]+	254.06116	146.0
[M+H-H2O]+	198.09526	136.8
[M+HCOO]-	260.09620	146.3
[M+CH3COO]-	274.11185	151.9
[M+Na-2H]-	236.07267	148.8
[M]+	215.09745	143.7
[M]-	215.09855	143.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.