CID 12770880

73443-84-2

Structural Information

Molecular Formula
C8H7NOS
SMILES
CC1=C2C(=CC=C1)SC(=O)N2
InChI
InChI=1S/C8H7NOS/c1-5-3-2-4-6-7(5)9-8(10)11-6/h2-4H,1H3,(H,9,10)
InChIKey
MAIYZXCYLAJOFK-UHFFFAOYSA-N
Compound name
4-methyl-3H-1,3-benzothiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

178
Patents

165.02484 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.03212 130.2
[M+Na]+ 188.01406 144.3
[M+NH4]+ 183.05866 140.0
[M+K]+ 203.98800 137.2
[M-H]- 164.01756 132.3
[M+Na-2H]- 185.99951 136.7
[M]+ 165.02429 133.3
[M]- 165.02539 133.3
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