CID 602966

155778-36-2

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]+ 184.05391 135.7
[M+Na]+ 206.03585 143.3
[M+NH4]+ 201.08045 142.9
[M+K]+ 222.00979 140.0
[M-H]- 182.03935 136.0
[M+Na-2H]- 204.02130 138.6
[M]+ 183.04608 136.9
[M]- 183.04718 136.9
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