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: 12
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]+	194.048156	136.4
[M+Na]+	216.030098	143.6
[M-H]-	192.033604	137.1
[M+NH4]+	211.074703	156.1
[M+K]+	232.004038	142.1
[M+H-H2O]+	176.038140	131.6
[M+HCOO]-	238.039081	149.9
[M+CH3COO]-	252.054731	173.9
[M+Na-2H]-	214.015546	139.4
[M]+	193.04033142	135.6
[M]-	193.04142858	135.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe