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

38
Patents

196.10994 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.11722 145.1
[M+Na]+ 219.09916 151.2
[M-H]- 195.10266 146.8
[M+NH4]+ 214.14376 165.4
[M+K]+ 235.07310 149.0
[M+H-H2O]+ 179.10720 139.7
[M+HCOO]- 241.10814 166.7
[M+CH3COO]- 255.12379 181.4
[M+Na-2H]- 217.08461 146.6
[M]+ 196.10939 145.7
[M]- 196.11049 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