CID 165989144

Methyl 1-methoxy-3-oxocyclobutane-1-carboxylate

Structural Information

Molecular Formula
C7H10O4
SMILES
COC(=O)C1(CC(=O)C1)OC
InChI
InChI=1S/C7H10O4/c1-10-6(9)7(11-2)3-5(8)4-7/h3-4H2,1-2H3
InChIKey
UJTHRCCYZMEUEG-UHFFFAOYSA-N
Compound name
methyl 1-methoxy-3-oxocyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.0579 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.06518 128.0
[M+Na]+ 181.04712 134.8
[M-H]- 157.05062 132.1
[M+NH4]+ 176.09172 144.3
[M+K]+ 197.02106 138.6
[M+H-H2O]+ 141.05516 119.5
[M+HCOO]- 203.05610 150.0
[M+CH3COO]- 217.07175 178.8
[M+Na-2H]- 179.03257 133.7
[M]+ 158.05735 139.6
[M]- 158.05845 139.6
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

No patent data available for this compound.