CID 3066915

6-methoxy-4-methyl-2(3h)-benzothiazolone

Structural Information

Molecular Formula
C9H9NO2S
SMILES
CC1=CC(=CC2=C1NC(=O)S2)OC
InChI
InChI=1S/C9H9NO2S/c1-5-3-6(12-2)4-7-8(5)10-9(11)13-7/h3-4H,1-2H3,(H,10,11)
InChIKey
SOZONSXBIDNNRB-UHFFFAOYSA-N
Compound name
6-methoxy-4-methyl-3H-1,3-benzothiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

195.0354 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.04268 138.5
[M+Na]+ 218.02462 152.2
[M+NH4]+ 213.06922 147.5
[M+K]+ 233.99856 145.6
[M-H]- 194.02812 140.1
[M+Na-2H]- 216.01007 144.0
[M]+ 195.03485 141.4
[M]- 195.03595 141.4
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