CID 2057592

2-(2-methoxyethoxy)-1,3-benzothiazole

Structural Information

Molecular Formula
C10H11NO2S
SMILES
COCCOC1=NC2=CC=CC=C2S1
InChI
InChI=1S/C10H11NO2S/c1-12-6-7-13-10-11-8-4-2-3-5-9(8)14-10/h2-5H,6-7H2,1H3
InChIKey
WLAREINQKXYEOY-UHFFFAOYSA-N
Compound name
2-(2-methoxyethoxy)-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

4
Patents

209.05106 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.05834 141.5
[M+Na]+ 232.04028 152.4
[M-H]- 208.04378 145.7
[M+NH4]+ 227.08488 163.1
[M+K]+ 248.01422 149.7
[M+H-H2O]+ 192.04832 135.6
[M+HCOO]- 254.04926 162.1
[M+CH3COO]- 268.06491 183.1
[M+Na-2H]- 230.02573 146.9
[M]+ 209.05051 149.0
[M]- 209.05161 149.0
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