CID 67469031

1262769-94-7

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]+ 231.122696 150.0
[M+Na]+ 253.104638 153.9
[M-H]- 229.108144 153.6
[M+NH4]+ 248.149243 161.9
[M+K]+ 269.078578 158.8
[M+H-H2O]+ 213.112680 140.2
[M+HCOO]- 275.113621 169.0
[M+CH3COO]- 289.129271 191.5
[M+Na-2H]- 251.090086 154.1
[M]+ 230.11487142 164.0
[M]- 230.11596858 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