CID 106710

Ethyl 2-acetyl-3-oxodecanoate

Structural Information

Molecular Formula

C₁₄H₂₄O₄

SMILES

CCCCCCCC(=O)C(C(=O)C)C(=O)OCC

InChI

InChI=1S/C14H24O4/c1-4-6-7-8-9-10-12(16)13(11(3)15)14(17)18-5-2/h13H,4-10H2,1-3H3

InChIKey

HWJMRLHWXKAVSJ-UHFFFAOYSA-N

Compound name

ethyl 2-acetyl-3-oxodecanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 256.16745 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]+	257.17473	162.8
[M+Na]+	279.15667	169.7
[M+NH4]+	274.20127	167.3
[M+K]+	295.13061	166.0
[M-H]-	255.16017	159.4
[M+Na-2H]-	277.14212	162.3
[M]+	256.16690	162.3
[M]-	256.16800	162.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe