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 162.7
[M+Na]+ 297.12432 165.2
[M+NH4]+ 292.16892 167.6
[M+K]+ 313.09826 158.4
[M-H]- 273.12782 159.8
[M+Na-2H]- 295.10977 165.5
[M]+ 274.13455 161.5
[M]- 274.13565 161.5
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.