CID 22831881

324570-25-4

Structural Information

Molecular Formula
C9H14O4
SMILES
CCOC(=O)CC(=O)C1CCOC1
InChI
InChI=1S/C9H14O4/c1-2-13-9(11)5-8(10)7-3-4-12-6-7/h7H,2-6H2,1H3
InChIKey
ZBXPERMBEFSQSO-UHFFFAOYSA-N
Compound name
ethyl 3-oxo-3-(oxolan-3-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

186.0892 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.096476 141.0
[M+Na]+ 209.078418 146.2
[M-H]- 185.081924 144.4
[M+NH4]+ 204.123023 160.7
[M+K]+ 225.052358 147.5
[M+H-H2O]+ 169.086460 135.6
[M+HCOO]- 231.087401 161.7
[M+CH3COO]- 245.103051 179.5
[M+Na-2H]- 207.063866 143.5
[M]+ 186.08865142 142.3
[M]- 186.08974858 142.3
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