CID 56962209

1291487-31-4

Structural Information

Molecular Formula
C10H17NO4S
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CS(=O)(=O)C2
InChI
InChI=1S/C10H17NO4S/c1-9(2,3)15-8(12)11-4-10(5-11)6-16(13,14)7-10/h4-7H2,1-3H3
InChIKey
SZUIVGVHSGBMMY-UHFFFAOYSA-N
Compound name
tert-butyl 2,2-dioxo-2lambda6-thia-6-azaspiro[3.3]heptane-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

247.08783 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.09511 145.2
[M+Na]+ 270.07705 148.5
[M-H]- 246.08055 148.7
[M+NH4]+ 265.12165 151.9
[M+K]+ 286.05099 153.4
[M+H-H2O]+ 230.08509 132.1
[M+HCOO]- 292.08603 155.5
[M+CH3COO]- 306.10168 198.9
[M+Na-2H]- 268.06250 148.6
[M]+ 247.08728 164.3
[M]- 247.08838 164.3
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

patents stripe