CID 5183659

4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxylic acid

Structural Information

Molecular Formula
C11H14O2S
SMILES
C1CCCC2=C(CC1)C=C(S2)C(=O)O
InChI
InChI=1S/C11H14O2S/c12-11(13)10-7-8-5-3-1-2-4-6-9(8)14-10/h7H,1-6H2,(H,12,13)
InChIKey
XKWUEZYMRWQSOI-UHFFFAOYSA-N
Compound name
4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

210.07146 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.07874 148.0
[M+Na]+ 233.06068 151.1
[M+NH4]+ 228.10528 151.0
[M+K]+ 249.03462 150.4
[M-H]- 209.06418 148.6
[M+Na-2H]- 231.04613 150.3
[M]+ 210.07091 148.6
[M]- 210.07201 148.6
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