CID 10490780

176519-53-2

Structural Information

Molecular Formula

C₁₅H₂₀O₃

SMILES

CCOC(=O)C(C(C)C)C(=O)CC1=CC=CC=C1

InChI

InChI=1S/C15H20O3/c1-4-18-15(17)14(11(2)3)13(16)10-12-8-6-5-7-9-12/h5-9,11,14H,4,10H2,1-3H3

InChIKey

GLMIDTBEENEUNW-UHFFFAOYSA-N

Compound name

ethyl 3-oxo-4-phenyl-2-propan-2-ylbutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 248.14125 Da
Monoisotopic Mass: 3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	249.14853	158.7
[M+Na]+	271.13047	168.8
[M+NH4]+	266.17507	165.2
[M+K]+	287.10441	164.0
[M-H]-	247.13397	159.1
[M+Na-2H]-	269.11592	162.9
[M]+	248.14070	160.0
[M]-	248.14180	160.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe