CID 155822632

2503206-19-5

Structural Information

Molecular Formula
C13H24N2O3S
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CCS(=N)(=O)C2
InChI
InChI=1S/C13H24N2O3S/c1-12(2,3)18-11(16)15-7-4-13(5-8-15)6-9-19(14,17)10-13/h14H,4-10H2,1-3H3
InChIKey
NTCCPVPBIFEXBB-UHFFFAOYSA-N
Compound name
tert-butyl 2-imino-2-oxo-2lambda6-thia-8-azaspiro[4.5]decane-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.15076 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.15804 165.3
[M+Na]+ 311.13998 170.7
[M-H]- 287.14348 168.7
[M+NH4]+ 306.18458 185.8
[M+K]+ 327.11392 168.7
[M+H-H2O]+ 271.14802 160.9
[M+HCOO]- 333.14896 176.7
[M+CH3COO]- 347.16461 195.7
[M+Na-2H]- 309.12543 167.7
[M]+ 288.15021 163.0
[M]- 288.15131 163.0
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.