CID 21949260

N-boc-1,1-dioxothiomorpholine

Structural Information

Molecular Formula

C₉H₁₇NO₄S

SMILES

CC(C)(C)OC(=O)N1CCS(=O)(=O)CC1

InChI

InChI=1S/C9H17NO4S/c1-9(2,3)14-8(11)10-4-6-15(12,13)7-5-10/h4-7H2,1-3H3

InChIKey

UPIBPNFZLMUGQX-UHFFFAOYSA-N

Compound name

tert-butyl 1,1-dioxo-1,4-thiazinane-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 85
Patents: 235.08783 Da
Monoisotopic Mass: 0.3
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]+	236.09511	152.3
[M+Na]+	258.07705	160.6
[M+NH4]+	253.12165	159.7
[M+K]+	274.05099	153.7
[M-H]-	234.08055	150.7
[M+Na-2H]-	256.06250	155.9
[M]+	235.08728	153.3
[M]-	235.08838	153.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe