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

79
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 157.5
[M+Na]+ 271.13047 163.9
[M-H]- 247.13397 161.0
[M+NH4]+ 266.17507 175.1
[M+K]+ 287.10441 162.5
[M+H-H2O]+ 231.13851 151.7
[M+HCOO]- 293.13945 177.7
[M+CH3COO]- 307.15510 195.5
[M+Na-2H]- 269.11592 160.4
[M]+ 248.14070 161.1
[M]- 248.14180 161.1
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