CID 2757310

101498-88-8

Structural Information

Molecular Formula
C15H20O3
SMILES
CCOC(=O)CC(=O)C1=CC=C(C=C1)C(C)(C)C
InChI
InChI=1S/C15H20O3/c1-5-18-14(17)10-13(16)11-6-8-12(9-7-11)15(2,3)4/h6-9H,5,10H2,1-4H3
InChIKey
AEGOOHDAUMBYHG-UHFFFAOYSA-N
Compound name
ethyl 3-(4-tert-butylphenyl)-3-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

248.14125 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.14853 158.3
[M+Na]+ 271.13047 169.2
[M+NH4]+ 266.17507 164.9
[M+K]+ 287.10441 164.2
[M-H]- 247.13397 158.5
[M+Na-2H]- 269.11592 163.0
[M]+ 248.14070 159.8
[M]- 248.14180 159.8
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