CID 3062837

2(3h)-benzothiazolone, 6-ethoxy-4-methyl-

Structural Information

Molecular Formula

C₁₀H₁₁NO₂S

SMILES

CCOC1=CC2=C(C(=C1)C)NC(=O)S2

InChI

InChI=1S/C10H11NO2S/c1-3-13-7-4-6(2)9-8(5-7)14-10(12)11-9/h4-5H,3H2,1-2H3,(H,11,12)

InChIKey

CTPPNXZSWAHPNJ-UHFFFAOYSA-N

Compound name

6-ethoxy-4-methyl-3H-1,3-benzothiazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 209.05106 Da
Monoisotopic Mass: 2.4
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	141.0
[M+Na]+	232.040278	153.4
[M-H]-	208.043784	144.5
[M+NH4]+	227.084883	162.3
[M+K]+	248.014218	149.1
[M+H-H2O]+	192.048320	135.9
[M+HCOO]-	254.049261	160.1
[M+CH3COO]-	268.064911	182.0
[M+Na-2H]-	230.025726	144.6
[M]+	209.05051142	146.8
[M]-	209.05160858	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe