CID 13028439

Ethyl 2-oxocyclobutane-1-carboxylate

Structural Information

Molecular Formula
C7H10O3
SMILES
CCOC(=O)C1CCC1=O
InChI
InChI=1S/C7H10O3/c1-2-10-7(9)5-3-4-6(5)8/h5H,2-4H2,1H3
InChIKey
DDRQHBOROQVYLJ-UHFFFAOYSA-N
Compound name
ethyl 2-oxocyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.06299 Da
Monoisotopic Mass

0.5
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

No literature data available for this compound.

Patent stripe

patents stripe