CID 2806236

155480-08-3

Structural Information

Molecular Formula

C₆H₁₁NO₄S

SMILES

C1CS(=O)(=O)CCN1CC(=O)O

InChI

InChI=1S/C6H11NO4S/c8-6(9)5-7-1-3-12(10,11)4-2-7/h1-5H2,(H,8,9)

InChIKey

CEABBIBOUBCOPV-UHFFFAOYSA-N

Compound name

2-(1,1-dioxo-1,4-thiazinan-4-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 70
Patents: 193.04088 Da
Monoisotopic Mass: -3.3
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]+	194.04816	139.3
[M+Na]+	216.03010	147.9
[M+NH4]+	211.07470	147.1
[M+K]+	232.00404	140.8
[M-H]-	192.03360	138.0
[M+Na-2H]-	214.01555	143.1
[M]+	193.04033	140.3
[M]-	193.04143	140.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe