CID 9877485

113030-24-3

Structural Information

Molecular Formula
C7H8N2OS
SMILES
C1CC2=C(CC1=O)SC(=N2)N
InChI
InChI=1S/C7H8N2OS/c8-7-9-5-2-1-4(10)3-6(5)11-7/h1-3H2,(H2,8,9)
InChIKey
WIYDBHSVURZSJV-UHFFFAOYSA-N
Compound name
2-amino-5,7-dihydro-4H-1,3-benzothiazol-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

168.03574 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.04302 132.1
[M+Na]+ 191.02496 142.6
[M+NH4]+ 186.06956 141.6
[M+K]+ 206.99890 136.7
[M-H]- 167.02846 134.2
[M+Na-2H]- 189.01041 136.2
[M]+ 168.03519 134.4
[M]- 168.03629 134.4
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