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 163.3
[M+Na]+ 313.11926 167.0
[M-H]- 289.12276 165.9
[M+NH4]+ 308.16386 174.9
[M+K]+ 329.09320 168.8
[M+H-H2O]+ 273.12730 153.2
[M+HCOO]- 335.12824 172.9
[M+CH3COO]- 349.14389 200.3
[M+Na-2H]- 311.10471 165.4
[M]+ 290.12949 171.1
[M]- 290.13059 171.1
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.