CID 138111974

2167618-39-3

Structural Information

Molecular Formula
C11H17NO5S
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CS(=O)(=O)CC2=O
InChI
InChI=1S/C11H17NO5S/c1-10(2,3)17-9(14)12-5-11(6-12)7-18(15,16)4-8(11)13/h4-7H2,1-3H3
InChIKey
FYMAVDZOVQXUAW-UHFFFAOYSA-N
Compound name
tert-butyl 6,6,8-trioxo-6lambda6-thia-2-azaspiro[3.4]octane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.08273 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.09001 155.0
[M+Na]+ 298.07195 161.1
[M-H]- 274.07545 159.3
[M+NH4]+ 293.11655 169.7
[M+K]+ 314.04589 163.0
[M+H-H2O]+ 258.07999 147.1
[M+HCOO]- 320.08093 167.4
[M+CH3COO]- 334.09658 193.9
[M+Na-2H]- 296.05740 157.4
[M]+ 275.08218 167.2
[M]- 275.08328 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.