CID 45090013

Ethyl 3-oxooxetane-2-carboxylate

Structural Information

Molecular Formula
C6H8O4
SMILES
CCOC(=O)C1C(=O)CO1
InChI
InChI=1S/C6H8O4/c1-2-9-6(8)5-4(7)3-10-5/h5H,2-3H2,1H3
InChIKey
MOCCKUWMECSVEO-UHFFFAOYSA-N
Compound name
ethyl 3-oxooxetane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.04225 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.049526 120.9
[M+Na]+ 167.031468 127.3
[M-H]- 143.034974 125.4
[M+NH4]+ 162.076073 134.6
[M+K]+ 183.005408 132.3
[M+H-H2O]+ 127.039510 111.1
[M+HCOO]- 189.040451 142.5
[M+CH3COO]- 203.056101 176.3
[M+Na-2H]- 165.016916 127.3
[M]+ 144.04170142 132.5
[M]- 144.04279858 132.5
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.