CID 84038716

Methyl 1,3-thiazinane-4-carboxylate hydrochloride

Structural Information

Molecular Formula

C₆H₁₁NO₂S

SMILES

COC(=O)C1CCSCN1

InChI

InChI=1S/C6H11NO2S/c1-9-6(8)5-2-3-10-4-7-5/h5,7H,2-4H2,1H3

InChIKey

WCZOOJDUXWEXSQ-UHFFFAOYSA-N

Compound name

methyl 1,3-thiazinane-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 161.05106 Da
Monoisotopic Mass: 0.6
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]+	162.058336	132.9
[M+Na]+	184.040278	138.2
[M-H]-	160.043784	133.1
[M+NH4]+	179.084883	151.8
[M+K]+	200.014218	136.7
[M+H-H2O]+	144.048320	127.0
[M+HCOO]-	206.049261	145.7
[M+CH3COO]-	220.064911	170.5
[M+Na-2H]-	182.025726	134.7
[M]+	161.05051142	129.8
[M]-	161.05160858	129.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.