CID 15741606

Ethyl 3-oxo-2-(2-oxocyclopentyl)butanoate

Structural Information

Molecular Formula
C11H16O4
SMILES
CCOC(=O)C(C1CCCC1=O)C(=O)C
InChI
InChI=1S/C11H16O4/c1-3-15-11(14)10(7(2)12)8-5-4-6-9(8)13/h8,10H,3-6H2,1-2H3
InChIKey
SWKXEGKWOQENLT-UHFFFAOYSA-N
Compound name
ethyl 3-oxo-2-(2-oxocyclopentyl)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.10486 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.11214 147.9
[M+Na]+ 235.09408 153.2
[M-H]- 211.09758 150.9
[M+NH4]+ 230.13868 168.0
[M+K]+ 251.06802 153.1
[M+H-H2O]+ 195.10212 142.6
[M+HCOO]- 257.10306 168.0
[M+CH3COO]- 271.11871 186.7
[M+Na-2H]- 233.07953 146.7
[M]+ 212.10431 148.4
[M]- 212.10541 148.4
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

No patent data available for this compound.