CID 252487

Ethyl 2-oxo-2-(2-oxocyclopentyl)acetate

Structural Information

Molecular Formula
C9H12O4
SMILES
CCOC(=O)C(=O)C1CCCC1=O
InChI
InChI=1S/C9H12O4/c1-2-13-9(12)8(11)6-4-3-5-7(6)10/h6H,2-5H2,1H3
InChIKey
SYJZOWMPITUCHW-UHFFFAOYSA-N
Compound name
ethyl 2-oxo-2-(2-oxocyclopentyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

184.07356 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.08084 138.5
[M+Na]+ 207.06278 144.9
[M-H]- 183.06628 141.8
[M+NH4]+ 202.10738 159.8
[M+K]+ 223.03672 144.8
[M+H-H2O]+ 167.07082 133.5
[M+HCOO]- 229.07176 160.3
[M+CH3COO]- 243.08741 179.8
[M+Na-2H]- 205.04823 139.6
[M]+ 184.07301 138.9
[M]- 184.07411 138.9
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