CID 218609

6-(2-oxocyclopentyl)hexanoic acid

Structural Information

Molecular Formula
C11H18O3
SMILES
C1CC(C(=O)C1)CCCCCC(=O)O
InChI
InChI=1S/C11H18O3/c12-10-7-4-6-9(10)5-2-1-3-8-11(13)14/h9H,1-8H2,(H,13,14)
InChIKey
PGTPCJJMOJCWHV-UHFFFAOYSA-N
Compound name
6-(2-oxocyclopentyl)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

198.1256 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.13288 147.0
[M+Na]+ 221.11482 152.1
[M-H]- 197.11832 148.3
[M+NH4]+ 216.15942 167.2
[M+K]+ 237.08876 150.1
[M+H-H2O]+ 181.12286 141.7
[M+HCOO]- 243.12380 167.2
[M+CH3COO]- 257.13945 181.8
[M+Na-2H]- 219.10027 147.5
[M]+ 198.12505 146.2
[M]- 198.12615 146.2
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