CID 15473621

263719-76-2

Structural Information

Molecular Formula

C₇H₁₄N₂O₄S

SMILES

CC(C)(C)OC(=O)N1CCNS1(=O)=O

InChI

InChI=1S/C7H14N2O4S/c1-7(2,3)13-6(10)9-5-4-8-14(9,11)12/h8H,4-5H2,1-3H3

InChIKey

APFAUGSFPCAVKB-UHFFFAOYSA-N

Compound name

tert-butyl 1,1-dioxo-1,2,5-thiadiazolidine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 222.06743 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]+	223.07471	146.7
[M+Na]+	245.05665	155.0
[M-H]-	221.06015	146.6
[M+NH4]+	240.10125	166.1
[M+K]+	261.03059	153.9
[M+H-H2O]+	205.06469	142.3
[M+HCOO]-	267.06563	159.3
[M+CH3COO]-	281.08128	178.3
[M+Na-2H]-	243.04210	148.8
[M]+	222.06688	148.3
[M]-	222.06798	148.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe