CID 11852658

2-amino-4h,5h,6h-cyclopenta[d][1,3]thiazol-6-one

Structural Information

Molecular Formula
C6H6N2OS
SMILES
C1CC(=O)C2=C1N=C(S2)N
InChI
InChI=1S/C6H6N2OS/c7-6-8-3-1-2-4(9)5(3)10-6/h1-2H2,(H2,7,8)
InChIKey
WWCOWASLMPTQDE-UHFFFAOYSA-N
Compound name
2-amino-4,5-dihydrocyclopenta[d][1,3]thiazol-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

154.02008 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.02736 128.6
[M+Na]+ 177.00930 139.5
[M-H]- 153.01280 132.6
[M+NH4]+ 172.05390 153.6
[M+K]+ 192.98324 137.2
[M+H-H2O]+ 137.01734 124.0
[M+HCOO]- 199.01828 148.6
[M+CH3COO]- 213.03393 143.5
[M+Na-2H]- 174.99475 130.5
[M]+ 154.01953 129.4
[M]- 154.02063 129.4
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