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

2
Patents

158.0579 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.065176 128.0
[M+Na]+ 181.047118 134.8
[M-H]- 157.050624 132.1
[M+NH4]+ 176.091723 144.3
[M+K]+ 197.021058 138.6
[M+H-H2O]+ 141.055160 119.5
[M+HCOO]- 203.056101 150.0
[M+CH3COO]- 217.071751 178.8
[M+Na-2H]- 179.032566 133.7
[M]+ 158.05735142 139.6
[M]- 158.05844858 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.