CID 14310344

118597-91-4

Structural Information

Molecular Formula
C7H10OS
SMILES
C1[C@@H]2CSC[C@@H]2CC1=O
InChI
InChI=1S/C7H10OS/c8-7-1-5-3-9-4-6(5)2-7/h5-6H,1-4H2/t5-,6+
InChIKey
WGUHSXWRJNEGPK-OLQVQODUSA-N
Compound name
(3aS,6aR)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]thiophen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

142.04524 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.05252 130.4
[M+Na]+ 165.03446 138.8
[M-H]- 141.03796 135.2
[M+NH4]+ 160.07906 157.3
[M+K]+ 181.00840 137.4
[M+H-H2O]+ 125.04250 126.8
[M+HCOO]- 187.04344 148.0
[M+CH3COO]- 201.05909 170.6
[M+Na-2H]- 163.01991 131.0
[M]+ 142.04469 129.6
[M]- 142.04579 129.6
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