CID 602966

2-amino-4h,5h,6h,7h,8h-[1,3]thiazolo[5,4-c]azepin-4-one

Structural Information

Molecular Formula
C7H9N3OS
SMILES
C1CC2=C(C(=O)NC1)SC(=N2)N
InChI
InChI=1S/C7H9N3OS/c8-7-10-4-2-1-3-9-6(11)5(4)12-7/h1-3H2,(H2,8,10)(H,9,11)
InChIKey
FUEGOTSBXHYYIY-UHFFFAOYSA-N
Compound name
2-amino-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

183.04663 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.053906 136.4
[M+Na]+ 206.035848 143.2
[M-H]- 182.039354 138.1
[M+NH4]+ 201.080453 154.6
[M+K]+ 222.009788 143.7
[M+H-H2O]+ 166.043890 129.6
[M+HCOO]- 228.044831 150.4
[M+CH3COO]- 242.060481 147.8
[M+Na-2H]- 204.021296 138.2
[M]+ 183.04608142 130.6
[M]- 183.04717858 130.6
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