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

36
Patents

168.0245 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.031776 135.6
[M+Na]+ 191.013718 144.8
[M-H]- 167.017224 139.7
[M+NH4]+ 186.058323 160.8
[M+K]+ 206.987658 142.6
[M+H-H2O]+ 151.021760 132.1
[M+HCOO]- 213.022701 153.5
[M+CH3COO]- 227.038351 172.9
[M+Na-2H]- 188.999166 136.3
[M]+ 168.02395142 137.0
[M]- 168.02504858 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