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]+ 145.04953 120.9
[M+Na]+ 167.03147 127.3
[M-H]- 143.03497 125.4
[M+NH4]+ 162.07607 134.6
[M+K]+ 183.00541 132.3
[M+H-H2O]+ 127.03951 111.1
[M+HCOO]- 189.04045 142.5
[M+CH3COO]- 203.05610 176.3
[M+Na-2H]- 165.01692 127.3
[M]+ 144.04170 132.5
[M]- 144.04280 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.