CID 14689360

Ethyl 2-acetyl-3-methyl-4-oxopentanoate

Structural Information

Molecular Formula

C₁₀H₁₆O₄

SMILES

CCOC(=O)C(C(C)C(=O)C)C(=O)C

InChI

InChI=1S/C10H16O4/c1-5-14-10(13)9(8(4)12)6(2)7(3)11/h6,9H,5H2,1-4H3

InChIKey

CQYLSOVNYJDNEY-UHFFFAOYSA-N

Compound name

ethyl 2-acetyl-3-methyl-4-oxopentanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 200.10486 Da
Monoisotopic Mass: 0.6
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]+	201.11214	144.0
[M+Na]+	223.09408	149.5
[M-H]-	199.09758	144.1
[M+NH4]+	218.13868	163.0
[M+K]+	239.06802	150.7
[M+H-H2O]+	183.10212	139.2
[M+HCOO]-	245.10306	163.2
[M+CH3COO]-	259.11871	188.2
[M+Na-2H]-	221.07953	143.1
[M]+	200.10431	147.3
[M]-	200.10541	147.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe