CID 71314589

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

Structural Information

Molecular Formula
C10H17NO2S
SMILES
CC1OC2(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
InChIKey
DWWHPWWQQISZCA-UHFFFAOYSA-N
Compound name
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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.10528 137.9
[M+Na]+ 238.08722 142.3
[M-H]- 214.09072 135.2
[M+NH4]+ 233.13182 163.4
[M+K]+ 254.06116 136.8
[M+H-H2O]+ 198.09526 137.7
[M+HCOO]- 260.09620 142.0
[M+CH3COO]- 274.11185 177.9
[M+Na-2H]- 236.07267 149.0
[M]+ 215.09745 136.8
[M]- 215.09855 136.8
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.