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

7
Patents

154.02008 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.027356 128.6
[M+Na]+ 177.009298 139.5
[M-H]- 153.012804 132.6
[M+NH4]+ 172.053903 153.6
[M+K]+ 192.983238 137.2
[M+H-H2O]+ 137.017340 124.0
[M+HCOO]- 199.018281 148.6
[M+CH3COO]- 213.033931 143.5
[M+Na-2H]- 174.994746 130.5
[M]+ 154.01953142 129.4
[M]- 154.02062858 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