CID 155821303

2445792-22-1

Structural Information

Molecular Formula
C12H22N2O3S
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CS(=N)(=O)C2
InChI
InChI=1S/C12H22N2O3S/c1-11(2,3)17-10(15)14-6-4-12(5-7-14)8-18(13,16)9-12/h13H,4-9H2,1-3H3
InChIKey
QRMGFGSNAPUGRI-UHFFFAOYSA-N
Compound name
tert-butyl 2-imino-2-oxo-2lambda6-thia-7-azaspiro[3.5]nonane-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.1351 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.142376 160.2
[M+Na]+ 297.124318 163.5
[M-H]- 273.127824 163.1
[M+NH4]+ 292.168923 172.5
[M+K]+ 313.098258 165.0
[M+H-H2O]+ 257.132360 149.9
[M+HCOO]- 319.133301 170.3
[M+CH3COO]- 333.148951 197.5
[M+Na-2H]- 295.109766 163.5
[M]+ 274.13455142 167.2
[M]- 274.13564858 167.2
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.