CID 124249445

2-thia-5-azaspiro[3.5]nonane 2,2-dioxide hydrochloride

Structural Information

Molecular Formula
C7H13NO2S
SMILES
C1CCNC2(C1)CS(=O)(=O)C2
InChI
InChI=1S/C7H13NO2S/c9-11(10)5-7(6-11)3-1-2-4-8-7/h8H,1-6H2
InChIKey
WKBMDFLIUZXMJB-UHFFFAOYSA-N
Compound name
2lambda6-thia-5-azaspiro[3.5]nonane 2,2-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.0667 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.07398 130.4
[M+Na]+ 198.05592 135.7
[M-H]- 174.05942 132.8
[M+NH4]+ 193.10052 146.3
[M+K]+ 214.02986 136.3
[M+H-H2O]+ 158.06396 120.8
[M+HCOO]- 220.06490 142.3
[M+CH3COO]- 234.08055 174.3
[M+Na-2H]- 196.04137 135.8
[M]+ 175.06615 135.0
[M]- 175.06725 135.0
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.