CID 25137844

Cevimeline

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

compound 2d structure
7
Annotation Hits

202
References

5254
Patents

199.10309 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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 (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.