CID 770980

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

Structural Information

Molecular Formula
C8H8O2S
SMILES
C1CC2=C(C1)SC(=C2)C(=O)O
InChI
InChI=1S/C8H8O2S/c9-8(10)7-4-5-2-1-3-6(5)11-7/h4H,1-3H2,(H,9,10)
InChIKey
XSFUFVBXPLWNBK-UHFFFAOYSA-N
Compound name
5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

102
Patents

168.0245 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.03178 135.6
[M+Na]+ 191.01372 144.8
[M-H]- 167.01722 139.7
[M+NH4]+ 186.05832 160.8
[M+K]+ 206.98766 142.6
[M+H-H2O]+ 151.02176 132.1
[M+HCOO]- 213.02270 153.5
[M+CH3COO]- 227.03835 172.9
[M+Na-2H]- 188.99917 136.3
[M]+ 168.02395 137.0
[M]- 168.02505 137.0
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