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

63
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

literature stripe

Patent stripe

patents stripe