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: 2
Patents: 249.0671 Da
Monoisotopic Mass: 0.9
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]+	250.074376	153.0
[M+Na]+	272.056318	163.4
[M-H]-	248.059824	159.1
[M+NH4]+	267.100923	169.4
[M+K]+	288.030258	164.0
[M+H-H2O]+	232.064360	150.2
[M+HCOO]-	294.065301	166.3
[M+CH3COO]-	308.080951	188.0
[M+Na-2H]-	270.041766	158.2
[M]+	249.06655142	161.2
[M]-	249.06764858	161.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe