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]+ 213.112136 147.9
[M+Na]+ 235.094078 153.2
[M-H]- 211.097584 150.9
[M+NH4]+ 230.138683 168.0
[M+K]+ 251.068018 153.1
[M+H-H2O]+ 195.102120 142.6
[M+HCOO]- 257.103061 168.0
[M+CH3COO]- 271.118711 186.7
[M+Na-2H]- 233.079526 146.7
[M]+ 212.10431142 148.4
[M]- 212.10540858 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.