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]+ 251.12779 156.7
[M+Na]+ 273.10973 162.7
[M-H]- 249.11323 160.1
[M+NH4]+ 268.15433 173.8
[M+K]+ 289.08367 162.0
[M+H-H2O]+ 233.11777 150.2
[M+HCOO]- 295.11871 178.0
[M+CH3COO]- 309.13436 195.8
[M+Na-2H]- 271.09518 158.0
[M]+ 250.11996 161.3
[M]- 250.12106 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.