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

900
Patents

195.0354 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.04268 136.7
[M+Na]+ 218.02462 148.9
[M-H]- 194.02812 141.5
[M+NH4]+ 213.06922 159.2
[M+K]+ 233.99856 146.5
[M+H-H2O]+ 178.03266 131.3
[M+HCOO]- 240.03360 157.6
[M+CH3COO]- 254.04925 181.2
[M+Na-2H]- 216.01007 142.0
[M]+ 195.03485 144.3
[M]- 195.03595 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