CID 3073164

146947-24-2

Structural Information

Molecular Formula

C₉H₁₁NO₂S₂

SMILES

CCOC(=O)C1=C2N(CCS1)C=CS2

InChI

InChI=1S/C9H11NO2S2/c1-2-12-9(11)7-8-10(3-5-13-7)4-6-14-8/h4,6H,2-3,5H2,1H3

InChIKey

UQQPFHUNQWYPTK-UHFFFAOYSA-N

Compound name

ethyl 5,6-dihydro-[1,3]thiazolo[2,3-c][1,4]thiazine-8-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 229.02312 Da
Monoisotopic Mass: 1.8
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]+	230.03040	146.5
[M+Na]+	252.01234	154.8
[M-H]-	228.01584	149.4
[M+NH4]+	247.05694	167.0
[M+K]+	267.98628	151.9
[M+H-H2O]+	212.02038	141.5
[M+HCOO]-	274.02132	156.7
[M+CH3COO]-	288.03697	185.2
[M+Na-2H]-	249.99779	146.8
[M]+	229.02257	149.3
[M]-	229.02367	149.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe