CID 59215778

929047-23-4

Structural Information

Molecular Formula

C₆H₁₁NO₄S

SMILES

COC(=O)C1CS(=O)(=O)CCN1

InChI

InChI=1S/C6H11NO4S/c1-11-6(8)5-4-12(9,10)3-2-7-5/h5,7H,2-4H2,1H3

InChIKey

ANJDRLZBIZGOSM-UHFFFAOYSA-N

Compound name

methyl 1,1-dioxo-1,4-thiazinane-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 193.04088 Da
Monoisotopic Mass: -1.1
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]+	194.04816	139.5
[M+Na]+	216.03010	148.2
[M+NH4]+	211.07470	147.3
[M+K]+	232.00404	141.0
[M-H]-	192.03360	138.2
[M+Na-2H]-	214.01555	143.3
[M]+	193.04033	140.5
[M]-	193.04143	140.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe