CID 43286790

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

Structural Information

Molecular Formula
C6H7NOS
SMILES
C1CC2=C(C1)SC(=O)N2
InChI
InChI=1S/C6H7NOS/c8-6-7-4-2-1-3-5(4)9-6/h1-3H2,(H,7,8)
InChIKey
MPBAFCASVITYMO-UHFFFAOYSA-N
Compound name
3,4,5,6-tetrahydrocyclopenta[d][1,3]thiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

141.02484 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.03212 126.4
[M+Na]+ 164.01406 137.0
[M-H]- 140.01756 129.3
[M+NH4]+ 159.05866 151.6
[M+K]+ 179.98800 134.4
[M+H-H2O]+ 124.02210 122.2
[M+HCOO]- 186.02304 144.6
[M+CH3COO]- 200.03869 141.1
[M+Na-2H]- 161.99951 128.8
[M]+ 141.02429 126.8
[M]- 141.02539 126.8
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