CID 43286790

57001-18-0

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

5
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 126.8
[M+Na]+ 164.01406 136.9
[M+NH4]+ 159.05866 136.4
[M+K]+ 179.98800 132.8
[M-H]- 140.01756 127.6
[M+Na-2H]- 161.99951 130.2
[M]+ 141.02429 128.7
[M]- 141.02539 128.7
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