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

24
Patents

180.03574 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.043016 132.4
[M+Na]+ 203.024958 145.4
[M-H]- 179.028464 137.1
[M+NH4]+ 198.069563 155.1
[M+K]+ 218.998898 141.4
[M+H-H2O]+ 163.033000 127.2
[M+HCOO]- 225.033941 153.8
[M+CH3COO]- 239.049591 147.7
[M+Na-2H]- 201.010406 137.0
[M]+ 180.03519142 136.2
[M]- 180.03628858 136.2
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