CID 122537

Ethyl 3-(4-acetylphenoxy)-2-methylpropanoate

Structural Information

Molecular Formula
C14H18O4
SMILES
CCOC(=O)C(C)COC1=CC=C(C=C1)C(=O)C
InChI
InChI=1S/C14H18O4/c1-4-17-14(16)10(2)9-18-13-7-5-12(6-8-13)11(3)15/h5-8,10H,4,9H2,1-3H3
InChIKey
XHBGRNXPBPPZNL-UHFFFAOYSA-N
Compound name
ethyl 3-(4-acetylphenoxy)-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.12051 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.127786 156.7
[M+Na]+ 273.109728 162.7
[M-H]- 249.113234 160.1
[M+NH4]+ 268.154333 173.8
[M+K]+ 289.083668 162.0
[M+H-H2O]+ 233.117770 150.2
[M+HCOO]- 295.118711 178.0
[M+CH3COO]- 309.134361 195.8
[M+Na-2H]- 271.095176 158.0
[M]+ 250.11996142 161.3
[M]- 250.12105858 161.3
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.