CID 15814413

160502-05-6

Structural Information

Molecular Formula
C8H8O2S
SMILES
C1C(CC2=CSC=C21)C(=O)O
InChI
InChI=1S/C8H8O2S/c9-8(10)5-1-6-3-11-4-7(6)2-5/h3-5H,1-2H2,(H,9,10)
InChIKey
ZPSKAIONUPCOJP-UHFFFAOYSA-N
Compound name
5,6-dihydro-4H-cyclopenta[c]thiophene-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

168.0245 Da
Monoisotopic Mass

1.4
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

No literature data available for this compound.

Patent stripe

patents stripe