CID 45090237

227607-44-5

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

37
Patents

156.07864 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.085916 130.4
[M+Na]+ 179.067858 137.0
[M-H]- 155.071364 134.4
[M+NH4]+ 174.112463 147.0
[M+K]+ 195.041798 140.1
[M+H-H2O]+ 139.075900 121.9
[M+HCOO]- 201.076841 151.9
[M+CH3COO]- 215.092491 179.7
[M+Na-2H]- 177.053306 135.5
[M]+ 156.07809142 141.0
[M]- 156.07918858 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