CID 3040253

1-cyclopentene-1-hexanoic acid, 5-oxo-

Structural Information

Molecular Formula
C11H16O3
SMILES
C1CC(=O)C(=C1)CCCCCC(=O)O
InChI
InChI=1S/C11H16O3/c12-10-7-4-6-9(10)5-2-1-3-8-11(13)14/h6H,1-5,7-8H2,(H,13,14)
InChIKey
LKHSNVFARIHMHY-UHFFFAOYSA-N
Compound name
6-(5-oxocyclopenten-1-yl)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

196.10994 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.117216 145.1
[M+Na]+ 219.099158 151.2
[M-H]- 195.102664 146.8
[M+NH4]+ 214.143763 165.4
[M+K]+ 235.073098 149.0
[M+H-H2O]+ 179.107200 139.7
[M+HCOO]- 241.108141 166.7
[M+CH3COO]- 255.123791 181.4
[M+Na-2H]- 217.084606 146.6
[M]+ 196.10939142 145.7
[M]- 196.11048858 145.7
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