CID 132313730

2138129-71-0

Structural Information

Molecular Formula
C8H15NO2S
SMILES
C1CC2(C1)CC(CCS2(=O)=O)N
InChI
InChI=1S/C8H15NO2S/c9-7-2-5-12(10,11)8(6-7)3-1-4-8/h7H,1-6,9H2
InChIKey
BPBASQSDFUESOU-UHFFFAOYSA-N
Compound name
5,5-dioxo-5lambda6-thiaspiro[3.5]nonan-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.08235 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.089626 134.1
[M+Na]+ 212.071568 139.1
[M-H]- 188.075074 138.7
[M+NH4]+ 207.116173 151.0
[M+K]+ 228.045508 140.0
[M+H-H2O]+ 172.079610 124.7
[M+HCOO]- 234.080551 148.4
[M+CH3COO]- 248.096201 182.3
[M+Na-2H]- 210.057016 138.4
[M]+ 189.08180142 139.0
[M]- 189.08289858 139.0
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.