CID 136574714

2174007-74-8

Structural Information

Molecular Formula
C14H23NO6S
SMILES
CC(C)(C)OC(=O)N1CC(C2(C1)CCS(=O)(=O)CC2)C(=O)O
InChI
InChI=1S/C14H23NO6S/c1-13(2,3)21-12(18)15-8-10(11(16)17)14(9-15)4-6-22(19,20)7-5-14/h10H,4-9H2,1-3H3,(H,16,17)
InChIKey
MEPUTCPBJLZGRH-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonyl]-8,8-dioxo-8lambda6-thia-2-azaspiro[4.5]decane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.1246 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.13188 172.8
[M+Na]+ 356.11382 178.3
[M-H]- 332.11732 175.0
[M+NH4]+ 351.15842 190.9
[M+K]+ 372.08776 177.2
[M+H-H2O]+ 316.12186 169.6
[M+HCOO]- 378.12280 181.2
[M+CH3COO]- 392.13845 199.1
[M+Na-2H]- 354.09927 173.6
[M]+ 333.12405 173.4
[M]- 333.12515 173.4
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.