CID 67469031

Ethyl 2-[3-(2-ethoxy-2-oxo-ethyl)oxetan-3-yl]acetate

Structural Information

Molecular Formula
C11H18O5
SMILES
CCOC(=O)CC1(COC1)CC(=O)OCC
InChI
InChI=1S/C11H18O5/c1-3-15-9(12)5-11(7-14-8-11)6-10(13)16-4-2/h3-8H2,1-2H3
InChIKey
NTDTTXWHMNHYOA-UHFFFAOYSA-N
Compound name
ethyl 2-[3-(2-ethoxy-2-oxoethyl)oxetan-3-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

230.11542 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.12270 150.0
[M+Na]+ 253.10464 153.9
[M-H]- 229.10814 153.6
[M+NH4]+ 248.14924 161.9
[M+K]+ 269.07858 158.8
[M+H-H2O]+ 213.11268 140.2
[M+HCOO]- 275.11362 169.0
[M+CH3COO]- 289.12927 191.5
[M+Na-2H]- 251.09009 154.1
[M]+ 230.11487 164.0
[M]- 230.11597 164.0
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