CID 91810650

Cevimeline n-oxide

Structural Information

Molecular Formula

C₁₀H₁₇NO₂S

SMILES

C[C@H]1O[C@@]2(C[N+]3(CCC2CC3)[O-])CS1

InChI

InChI=1S/C10H17NO2S/c1-8-13-10(7-14-8)6-11(12)4-2-9(10)3-5-11/h8-9H,2-7H2,1H3/t8-,9?,10-,11?/m0/s1

InChIKey

DWWHPWWQQISZCA-XEAZBWPWSA-N

Compound name

(2S,5S)-2-methyl-1'-oxidospiro[1,3-oxathiolane-5,3'-1-azoniabicyclo[2.2.2]octane]

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 215.098 Da
Monoisotopic Mass: 0.9
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]+	216.105276	137.9
[M+Na]+	238.087218	142.3
[M-H]-	214.090724	135.2
[M+NH4]+	233.131823	163.4
[M+K]+	254.061158	136.8
[M+H-H2O]+	198.095260	137.7
[M+HCOO]-	260.096201	142.0
[M+CH3COO]-	274.111851	177.9
[M+Na-2H]-	236.072666	149.0
[M]+	215.09745142	136.8
[M]-	215.09854858	136.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.