CID 9877485

2-amino-4,5-dihydrobenzo[d]thiazol-6(7h)-one

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

78
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 131.2
[M+Na]+ 191.02496 140.6
[M-H]- 167.02846 134.4
[M+NH4]+ 186.06956 153.7
[M+K]+ 206.99890 137.7
[M+H-H2O]+ 151.03300 125.9
[M+HCOO]- 213.03394 148.7
[M+CH3COO]- 227.04959 144.9
[M+Na-2H]- 189.01041 134.3
[M]+ 168.03519 130.1
[M]- 168.03629 130.1
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