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

5
Patents

198.1256 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.132876 147.0
[M+Na]+ 221.114818 152.1
[M-H]- 197.118324 148.3
[M+NH4]+ 216.159423 167.2
[M+K]+ 237.088758 150.1
[M+H-H2O]+ 181.122860 141.7
[M+HCOO]- 243.123801 167.2
[M+CH3COO]- 257.139451 181.8
[M+Na-2H]- 219.100266 147.5
[M]+ 198.12505142 146.2
[M]- 198.12614858 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