CID 115014556

1888976-83-7

Structural Information

Molecular Formula
C7H13NO2S
SMILES
C1CC2(CCS(=O)(=O)C2)NC1
InChI
InChI=1S/C7H13NO2S/c9-11(10)5-3-7(6-11)2-1-4-8-7/h8H,1-6H2
InChIKey
GWWCFIVMDNTFAE-UHFFFAOYSA-N
Compound name
7lambda6-thia-1-azaspiro[4.4]nonane 7,7-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 137.0
[M+Na]+ 198.05592 145.6
[M-H]- 174.05942 140.3
[M+NH4]+ 193.10052 163.4
[M+K]+ 214.02986 143.3
[M+H-H2O]+ 158.06396 133.3
[M+HCOO]- 220.06490 152.5
[M+CH3COO]- 234.08055 150.2
[M+Na-2H]- 196.04137 139.5
[M]+ 175.06615 134.0
[M]- 175.06725 134.0
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.