Cevimeline (C10H17NOS)

Structural Information

Molecular Formula

C₁₀H₁₇NOS

SMILES

CC1O[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-LHIURRSHSA-N

Compound name

(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]+	200.110366	137.9
[M+Na]+	222.092308	142.9
[M-H]-	198.095814	136.5
[M+NH4]+	217.136913	163.4
[M+K]+	238.066248	142.2
[M+H-H2O]+	182.100350	133.4
[M+HCOO]-	244.101291	143.0
[M+CH3COO]-	258.116941	148.8
[M+Na-2H]-	220.077756	146.1
[M]+	199.10254142	139.5
[M]-	199.10363858	139.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

200.110366

137.9

[M+Na]+

222.092308

142.9

[M-H]-

198.095814

136.5

[M+NH4]+

217.136913

163.4

[M+K]+

238.066248

142.2

[M+H-H2O]+

182.100350

133.4

[M+HCOO]-

244.101291

143.0

[M+CH3COO]-

258.116941

148.8

[M+Na-2H]-

220.077756

146.1

[M]+

199.10254142

139.5

[M]-

199.10363858

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