CID 204088

58955-83-2

Structural Information

Molecular Formula

C₁₀H₁₁NO₂S

SMILES

COC1=CC=C(C=C1)C2=NCOCS2

InChI

InChI=1S/C10H11NO2S/c1-12-9-4-2-8(3-5-9)10-11-6-13-7-14-10/h2-5H,6-7H2,1H3

InChIKey

PIAHAZMFEBRXRT-UHFFFAOYSA-N

Compound name

4-(4-methoxyphenyl)-6H-1,3,5-oxathiazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 209.05106 Da
Monoisotopic Mass: 2.0
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]+	210.058336	141.5
[M+Na]+	232.040278	149.3
[M-H]-	208.043784	147.6
[M+NH4]+	227.084883	158.2
[M+K]+	248.014218	147.8
[M+H-H2O]+	192.048320	134.2
[M+HCOO]-	254.049261	157.8
[M+CH3COO]-	268.064911	154.4
[M+Na-2H]-	230.025726	146.8
[M]+	209.05051142	142.9
[M]-	209.05160858	142.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe