CID 138991321

2309469-05-2

Structural Information

Molecular Formula
C13H23NO5S
SMILES
CC(C)(C)OC(=O)N1CC2(CCCCC2)COS1(=O)=O
InChI
InChI=1S/C13H23NO5S/c1-12(2,3)19-11(15)14-9-13(7-5-4-6-8-13)10-18-20(14,16)17/h4-10H2,1-3H3
InChIKey
JYPZYECJJNSYIN-UHFFFAOYSA-N
Compound name
tert-butyl 3,3-dioxo-2-oxa-3lambda6-thia-4-azaspiro[5.5]undecane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.1297 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.13698 165.5
[M+Na]+ 328.11892 170.4
[M-H]- 304.12242 169.2
[M+NH4]+ 323.16352 182.2
[M+K]+ 344.09286 171.0
[M+H-H2O]+ 288.12696 160.4
[M+HCOO]- 350.12790 173.5
[M+CH3COO]- 364.14355 195.8
[M+Na-2H]- 326.10437 170.1
[M]+ 305.12915 165.2
[M]- 305.13025 165.2
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.