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]+ 184.05391 136.4
[M+Na]+ 206.03585 143.2
[M-H]- 182.03935 138.1
[M+NH4]+ 201.08045 154.6
[M+K]+ 222.00979 143.7
[M+H-H2O]+ 166.04389 129.6
[M+HCOO]- 228.04483 150.4
[M+CH3COO]- 242.06048 147.8
[M+Na-2H]- 204.02130 138.2
[M]+ 183.04608 130.6
[M]- 183.04718 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