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 134.5
[M+Na]+ 179.06786 140.1
[M+NH4]+ 174.11246 139.2
[M+K]+ 195.04180 135.7
[M-H]- 155.07136 131.7
[M+Na-2H]- 177.05331 137.1
[M]+ 156.07809 133.2
[M]- 156.07919 133.2
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