CID 89417194

5-amino-3-methyl-2,3-dihydro-1,3-benzothiazol-2-one

Structural Information

Molecular Formula
C8H8N2OS
SMILES
CN1C2=C(C=CC(=C2)N)SC1=O
InChI
InChI=1S/C8H8N2OS/c1-10-6-4-5(9)2-3-7(6)12-8(10)11/h2-4H,9H2,1H3
InChIKey
HHAQCRFESSVDBG-UHFFFAOYSA-N
Compound name
5-amino-3-methyl-1,3-benzothiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

180.03574 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.04302 134.0
[M+Na]+ 203.02496 147.4
[M+NH4]+ 198.06956 143.4
[M+K]+ 218.99890 140.8
[M-H]- 179.02846 136.7
[M+Na-2H]- 201.01041 140.1
[M]+ 180.03519 137.1
[M]- 180.03629 137.1
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