CID 2763377

343334-01-0

Structural Information

Molecular Formula

C₈H₁₅NO₄S

SMILES

CCOC(=O)CN1CCS(=O)(=O)CC1

InChI

InChI=1S/C8H15NO4S/c1-2-13-8(10)7-9-3-5-14(11,12)6-4-9/h2-7H2,1H3

InChIKey

KWVBKMSCALADDC-UHFFFAOYSA-N

Compound name

ethyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 3
Patents: 221.07217 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]+	222.07945	147.8
[M+Na]+	244.06139	156.6
[M+NH4]+	239.10599	155.5
[M+K]+	260.03533	148.7
[M-H]-	220.06489	146.9
[M+Na-2H]-	242.04684	151.6
[M]+	221.07162	149.0
[M]-	221.07272	149.0

Literature stripe

literature stripe

Patent stripe

patents stripe