PubChemLite - Cevimeline (C10H17NOS)

Structural Information

Molecular Formula

C₁₀H₁₇NOS

SMILES

C[C@@H]1O[C@]2(CN3CCC2CC3)CS1

InChI

InChI=1S/C10H17NOS/c1-8-12-10(7-13-8)6-11-4-2-9(10)3-5-11/h8-9H,2-7H2,1H3/t8-,10-/m1/s1

InChIKey

WUTYZMFRCNBCHQ-PSASIEDQSA-N

Compound name

(2R,5R)-2-methylspiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane]

Related CIDs

2D Structure

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]+	200.11037	137.9
[M+Na]+	222.09231	142.9
[M-H]-	198.09581	136.5
[M+NH4]+	217.13691	163.4
[M+K]+	238.06625	142.2
[M+H-H2O]+	182.10035	133.4
[M+HCOO]-	244.10129	143.0
[M+CH3COO]-	258.11694	148.8
[M+Na-2H]-	220.07776	146.1
[M]+	199.10254	139.5
[M]-	199.10364	139.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

200.11037

137.9

[M+Na]+

222.09231

142.9

[M-H]-

198.09581

136.5

[M+NH4]+

217.13691

163.4

[M+K]+

238.06625

142.2

[M+H-H2O]+

182.10035

133.4

[M+HCOO]-

244.10129

143.0

[M+CH3COO]-

258.11694

148.8

[M+Na-2H]-

220.07776

146.1

[M]+

199.10254

139.5

[M]-

199.10364

139.5

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Cevimeline

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe