CID 112829

5,6-dimethoxy-2-methylbenzothiazole

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
3
Annotation Hits

3
References

83
Patents

209.05106 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.058336 141.0
[M+Na]+ 232.040278 153.6
[M-H]- 208.043784 146.0
[M+NH4]+ 227.084883 163.2
[M+K]+ 248.014218 150.9
[M+H-H2O]+ 192.048320 135.7
[M+HCOO]- 254.049261 161.5
[M+CH3COO]- 268.064911 185.4
[M+Na-2H]- 230.025726 145.2
[M]+ 209.05051142 149.4
[M]- 209.05160858 149.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe