CID 10953588

4h,5h,6h-cyclopenta[b]thiophen-5-one

Structural Information

Molecular Formula
C7H6OS
SMILES
C1C(=O)CC2=C1C=CS2
InChI
InChI=1S/C7H6OS/c8-6-3-5-1-2-9-7(5)4-6/h1-2H,3-4H2
InChIKey
YZHJXUXNBDAPLP-UHFFFAOYSA-N
Compound name
4,6-dihydrocyclopenta[b]thiophen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

138.01393 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.02121 126.6
[M+Na]+ 161.00315 137.2
[M-H]- 137.00665 132.3
[M+NH4]+ 156.04775 153.9
[M+K]+ 176.97709 135.3
[M+H-H2O]+ 121.01119 123.1
[M+HCOO]- 183.01213 147.2
[M+CH3COO]- 197.02778 142.3
[M+Na-2H]- 158.98860 129.2
[M]+ 138.01338 128.7
[M]- 138.01448 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

literature stripe

Patent stripe

patents stripe