CID 145912916

2378503-40-1

Structural Information

Molecular Formula
C8H15NO2S
SMILES
CS(=O)(=O)C1CC2(C1)CCNC2
InChI
InChI=1S/C8H15NO2S/c1-12(10,11)7-4-8(5-7)2-3-9-6-8/h7,9H,2-6H2,1H3
InChIKey
BADZYLOLQVAERU-UHFFFAOYSA-N
Compound name
2-methylsulfonyl-6-azaspiro[3.4]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.08235 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.08963 136.3
[M+Na]+ 212.07157 141.5
[M-H]- 188.07507 138.9
[M+NH4]+ 207.11617 151.7
[M+K]+ 228.04551 142.1
[M+H-H2O]+ 172.07961 126.9
[M+HCOO]- 234.08055 148.5
[M+CH3COO]- 248.09620 177.4
[M+Na-2H]- 210.05702 139.3
[M]+ 189.08180 142.5
[M]- 189.08290 142.5
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.