CID 12269882

58249-69-7

Structural Information

Molecular Formula
C9H9NO2S
SMILES
COC1=C(C=C2C(=C1)N=CS2)OC
InChI
InChI=1S/C9H9NO2S/c1-11-7-3-6-9(13-5-10-6)4-8(7)12-2/h3-5H,1-2H3
InChIKey
HYXKRZZFKJHDRT-UHFFFAOYSA-N
Compound name
5,6-dimethoxy-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1465
Patents

195.0354 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.042676 136.7
[M+Na]+ 218.024618 148.9
[M-H]- 194.028124 141.5
[M+NH4]+ 213.069223 159.2
[M+K]+ 233.998558 146.5
[M+H-H2O]+ 178.032660 131.3
[M+HCOO]- 240.033601 157.6
[M+CH3COO]- 254.049251 181.2
[M+Na-2H]- 216.010066 142.0
[M]+ 195.03485142 144.3
[M]- 195.03594858 144.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe