CID 58738073

1375338-65-0

Structural Information

Molecular Formula

C₈H₁₆N₂O₄S

SMILES

CC(C)(C)OC(=O)N1CCNS(=O)(=O)C1

InChI

InChI=1S/C8H16N2O4S/c1-8(2,3)14-7(11)10-5-4-9-15(12,13)6-10/h9H,4-6H2,1-3H3

InChIKey

ICPXJPOBWGEBNQ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 236.08308 Da
Monoisotopic Mass: 0.1
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]+	237.09036	150.2
[M+Na]+	259.07230	157.0
[M-H]-	235.07580	149.4
[M+NH4]+	254.11690	167.0
[M+K]+	275.04624	155.5
[M+H-H2O]+	219.08034	145.0
[M+HCOO]-	281.08128	160.3
[M+CH3COO]-	295.09693	181.7
[M+Na-2H]-	257.05775	153.2
[M]+	236.08253	149.9
[M]-	236.08363	149.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe