CID 291358

Ethyl (4-formylphenoxy)acetate

Structural Information

Molecular Formula
C11H12O4
SMILES
CCOC(=O)COC1=CC=C(C=C1)C=O
InChI
InChI=1S/C11H12O4/c1-2-14-11(13)8-15-10-5-3-9(7-12)4-6-10/h3-7H,2,8H2,1H3
InChIKey
CGEOWJVEIAILOR-UHFFFAOYSA-N
Compound name
ethyl 2-(4-formylphenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

141
Patents

208.07356 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.08084 144.0
[M+Na]+ 231.06278 155.9
[M+NH4]+ 226.10738 151.0
[M+K]+ 247.03672 150.3
[M-H]- 207.06628 144.7
[M+Na-2H]- 229.04823 149.7
[M]+ 208.07301 145.7
[M]- 208.07411 145.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe