CID 137963844

2225137-19-7

Structural Information

Molecular Formula
C12H22N2O4S
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)C(CS2(=O)=O)N
InChI
InChI=1S/C12H22N2O4S/c1-11(2,3)18-10(15)14-6-4-12(5-7-14)9(13)8-19(12,16)17/h9H,4-8,13H2,1-3H3
InChIKey
RZGVKFILRYSQAF-UHFFFAOYSA-N
Compound name
tert-butyl 3-amino-1,1-dioxo-1lambda6-thia-7-azaspiro[3.5]nonane-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.13004 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.13732 166.4
[M+Na]+ 313.11926 168.5
[M+NH4]+ 308.16386 170.6
[M+K]+ 329.09320 162.6
[M-H]- 289.12276 162.8
[M+Na-2H]- 311.10471 168.1
[M]+ 290.12949 164.9
[M]- 290.13059 164.9
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.