CID 72207476

1340481-81-3

Structural Information

Molecular Formula
C12H19NO6S
SMILES
CC(C)(C)OC(=O)N1CC2(C1)C(CCS2(=O)=O)C(=O)O
InChI
InChI=1S/C12H19NO6S/c1-11(2,3)19-10(16)13-6-12(7-13)8(9(14)15)4-5-20(12,17)18/h8H,4-7H2,1-3H3,(H,14,15)
InChIKey
DCZLIUMJKVXWOR-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonyl]-5,5-dioxo-5lambda6-thia-2-azaspiro[3.4]octane-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.09332 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.10060 169.5
[M+Na]+ 328.08254 170.2
[M+NH4]+ 323.12714 172.2
[M+K]+ 344.05648 167.6
[M-H]- 304.08604 163.2
[M+Na-2H]- 326.06799 169.1
[M]+ 305.09277 166.8
[M]- 305.09387 166.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.