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]+ 275.14238 160.2
[M+Na]+ 297.12432 163.5
[M-H]- 273.12782 163.1
[M+NH4]+ 292.16892 172.5
[M+K]+ 313.09826 165.0
[M+H-H2O]+ 257.13236 149.9
[M+HCOO]- 319.13330 170.3
[M+CH3COO]- 333.14895 197.5
[M+Na-2H]- 295.10977 163.5
[M]+ 274.13455 167.2
[M]- 274.13565 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.