CID 56962209

1291487-31-4

Structural Information

Molecular Formula

C₁₀H₁₇NO₄S

SMILES

CC(C)(C)OC(=O)N1CC2(C1)CS(=O)(=O)C2

InChI

InChI=1S/C10H17NO4S/c1-9(2,3)15-8(12)11-4-10(5-11)6-16(13,14)7-10/h4-7H2,1-3H3

InChIKey

SZUIVGVHSGBMMY-UHFFFAOYSA-N

Compound name

tert-butyl 2,2-dioxo-2lambda6-thia-6-azaspiro[3.3]heptane-6-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 247.08783 Da
Monoisotopic Mass: 0.2
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]+	248.095106	145.2
[M+Na]+	270.077048	148.5
[M-H]-	246.080554	148.7
[M+NH4]+	265.121653	151.9
[M+K]+	286.050988	153.4
[M+H-H2O]+	230.085090	132.1
[M+HCOO]-	292.086031	155.5
[M+CH3COO]-	306.101681	198.9
[M+Na-2H]-	268.062496	148.6
[M]+	247.08728142	164.3
[M]-	247.08837858	164.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe