CID 368226

Nsc638676

Structural Information

Molecular Formula

C₁₀H₁₁NO₂S

SMILES

CC1(C(=O)N(C2=CC=CC=C2S1)C)O

InChI

InChI=1S/C10H11NO2S/c1-10(13)9(12)11(2)7-5-3-4-6-8(7)14-10/h3-6,13H,1-2H3

InChIKey

HJFCPJSTUJYBEH-UHFFFAOYSA-N

Compound name

2-hydroxy-2,4-dimethyl-1,4-benzothiazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 209.05106 Da
Monoisotopic Mass: 1.2
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]+	210.05834	140.8
[M+Na]+	232.04028	150.7
[M-H]-	208.04378	143.2
[M+NH4]+	227.08488	161.8
[M+K]+	248.01422	147.1
[M+H-H2O]+	192.04832	135.7
[M+HCOO]-	254.04926	154.7
[M+CH3COO]-	268.06491	182.5
[M+Na-2H]-	230.02573	145.8
[M]+	209.05051	141.8
[M]-	209.05161	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe