CID 122604195

2023006-14-4

Structural Information

Molecular Formula
C9H15NO5S
SMILES
CC(C)(C)OC(=O)N1C2(CC2)COS1(=O)=O
InChI
InChI=1S/C9H15NO5S/c1-8(2,3)15-7(11)10-9(4-5-9)6-14-16(10,12)13/h4-6H2,1-3H3
InChIKey
TZTBNZRBASIIRK-UHFFFAOYSA-N
Compound name
tert-butyl 5,5-dioxo-6-oxa-5lambda6-thia-4-azaspiro[2.4]heptane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

249.0671 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.07438 153.0
[M+Na]+ 272.05632 163.4
[M-H]- 248.05982 159.1
[M+NH4]+ 267.10092 169.4
[M+K]+ 288.03026 164.0
[M+H-H2O]+ 232.06436 150.2
[M+HCOO]- 294.06530 166.3
[M+CH3COO]- 308.08095 188.0
[M+Na-2H]- 270.04177 158.2
[M]+ 249.06655 161.2
[M]- 249.06765 161.2
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

patents stripe