CID 58540092

4-oxo-5,6-dihydro-4h-cyclopenta[b]thiophene-2-carboxylic acid

Structural Information

Molecular Formula
C8H6O3S
SMILES
C1CC(=O)C2=C1SC(=C2)C(=O)O
InChI
InChI=1S/C8H6O3S/c9-5-1-2-6-4(5)3-7(12-6)8(10)11/h3H,1-2H2,(H,10,11)
InChIKey
KVBZMGGOMWCGQL-UHFFFAOYSA-N
Compound name
4-oxo-5,6-dihydrocyclopenta[b]thiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

182.00377 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.011046 137.4
[M+Na]+ 204.992988 147.4
[M-H]- 180.996494 141.7
[M+NH4]+ 200.037593 162.1
[M+K]+ 220.966928 145.1
[M+H-H2O]+ 165.001030 134.1
[M+HCOO]- 227.001971 155.6
[M+CH3COO]- 241.017621 175.2
[M+Na-2H]- 202.978436 137.7
[M]+ 182.00322142 139.8
[M]- 182.00431858 139.8
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