CID 540019

2-oxo-1-(2-oxo-propyl)-cyclopentanecarboxylic acid ethyl ester

Structural Information

Molecular Formula
C11H16O4
SMILES
CCOC(=O)C1(CCCC1=O)CC(=O)C
InChI
InChI=1S/C11H16O4/c1-3-15-10(14)11(7-8(2)12)6-4-5-9(11)13/h3-7H2,1-2H3
InChIKey
KULBPQHZKAFAQU-UHFFFAOYSA-N
Compound name
ethyl 2-oxo-1-(2-oxopropyl)cyclopentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

212.10486 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.11214 146.3
[M+Na]+ 235.09408 152.9
[M-H]- 211.09758 149.6
[M+NH4]+ 230.13868 168.6
[M+K]+ 251.06802 152.4
[M+H-H2O]+ 195.10212 142.2
[M+HCOO]- 257.10306 167.5
[M+CH3COO]- 271.11871 185.4
[M+Na-2H]- 233.07953 147.8
[M]+ 212.10431 147.9
[M]- 212.10541 147.9
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