CID 22467070

Ethyl 3-oxocyclobutanecarboxylate

Structural Information

Molecular Formula
C7H10O3
SMILES
CCOC(=O)C1CC(=O)C1
InChI
InChI=1S/C7H10O3/c1-2-10-7(9)5-3-6(8)4-5/h5H,2-4H2,1H3
InChIKey
BXBRFSMPBOTZHJ-UHFFFAOYSA-N
Compound name
ethyl 3-oxocyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

559
Patents

142.06299 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.07027 124.7
[M+Na]+ 165.05221 130.9
[M-H]- 141.05571 128.5
[M+NH4]+ 160.09681 139.9
[M+K]+ 181.02615 134.2
[M+H-H2O]+ 125.06025 115.0
[M+HCOO]- 187.06119 146.6
[M+CH3COO]- 201.07684 177.2
[M+Na-2H]- 163.03766 129.3
[M]+ 142.06244 134.7
[M]- 142.06354 134.7
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