CID 134183096

2172654-94-1

Structural Information

Molecular Formula

C₁₃H₂₁NO₅S

SMILES

CC(C)(C)OC(=O)N1CCC2(CC1)CS(=O)(=O)CC2=O

InChI

InChI=1S/C13H21NO5S/c1-12(2,3)19-11(16)14-6-4-13(5-7-14)9-20(17,18)8-10(13)15/h4-9H2,1-3H3

InChIKey

ZPMRZUORAURJPN-UHFFFAOYSA-N

Compound name

tert-butyl 2,2,4-trioxo-2lambda6-thia-8-azaspiro[4.5]decane-8-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 303.11404 Da
Monoisotopic Mass: 0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	304.121316	166.0
[M+Na]+	326.103258	173.0
[M-H]-	302.106764	169.9
[M+NH4]+	321.147863	186.3
[M+K]+	342.077198	171.8
[M+H-H2O]+	286.111300	162.4
[M+HCOO]-	348.112241	177.1
[M+CH3COO]-	362.127891	195.4
[M+Na-2H]-	324.088706	168.0
[M]+	303.11349142	167.2
[M]-	303.11458858	167.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe