CID 3062284

4,6-dimethyl-2(3h)-benzothiazolone

Structural Information

Molecular Formula
C9H9NOS
SMILES
CC1=CC(=C2C(=C1)SC(=O)N2)C
InChI
InChI=1S/C9H9NOS/c1-5-3-6(2)8-7(4-5)12-9(11)10-8/h3-4H,1-2H3,(H,10,11)
InChIKey
LYSKATDZHMEORB-UHFFFAOYSA-N
Compound name
4,6-dimethyl-3H-1,3-benzothiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

179.04048 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.04776 134.9
[M+Na]+ 202.02970 149.2
[M+NH4]+ 197.07430 144.5
[M+K]+ 218.00364 142.0
[M-H]- 178.03320 137.1
[M+Na-2H]- 200.01515 140.9
[M]+ 179.03993 138.1
[M]- 179.04103 138.1
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