CID 45090237

Ethyl 1-methyl-3-oxocyclobutane-1-carboxylate

Structural Information

Molecular Formula
C8H12O3
SMILES
CCOC(=O)C1(CC(=O)C1)C
InChI
InChI=1S/C8H12O3/c1-3-11-7(10)8(2)4-6(9)5-8/h3-5H2,1-2H3
InChIKey
WULIHYFQPZMMLD-UHFFFAOYSA-N
Compound name
ethyl 1-methyl-3-oxocyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

156.07864 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.08592 130.4
[M+Na]+ 179.06786 137.0
[M-H]- 155.07136 134.4
[M+NH4]+ 174.11246 147.0
[M+K]+ 195.04180 140.1
[M+H-H2O]+ 139.07590 121.9
[M+HCOO]- 201.07684 151.9
[M+CH3COO]- 215.09249 179.7
[M+Na-2H]- 177.05331 135.5
[M]+ 156.07809 141.0
[M]- 156.07919 141.0
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