CID 112829

62306-04-1

Structural Information

Molecular Formula

C₁₀H₁₁NO₂S

SMILES

CC1=NC2=CC(=C(C=C2S1)OC)OC

InChI

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

InChIKey

SOWIEKUNTPLSOC-UHFFFAOYSA-N

Compound name

5,6-dimethoxy-2-methyl-1,3-benzothiazole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 57
Patents: 209.05106 Da
Monoisotopic Mass: 2.7
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	142.7
[M+Na]+	232.04028	156.8
[M+NH4]+	227.08488	152.2
[M+K]+	248.01422	149.7
[M-H]-	208.04378	145.1
[M+Na-2H]-	230.02573	148.7
[M]+	209.05051	146.0
[M]-	209.05161	146.0

Literature stripe

literature stripe

Patent stripe

patents stripe