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

4
Patents

141.02484 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.032116 126.4
[M+Na]+ 164.014058 137.0
[M-H]- 140.017564 129.3
[M+NH4]+ 159.058663 151.6
[M+K]+ 179.987998 134.4
[M+H-H2O]+ 124.022100 122.2
[M+HCOO]- 186.023041 144.6
[M+CH3COO]- 200.038691 141.1
[M+Na-2H]- 161.999506 128.8
[M]+ 141.02429142 126.8
[M]- 141.02538858 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