CID 88855

21282-97-3

Structural Information

Molecular Formula

C₁₀H₁₄O₅

SMILES

CC(=C)C(=O)OCCOC(=O)CC(=O)C

InChI

InChI=1S/C10H14O5/c1-7(2)10(13)15-5-4-14-9(12)6-8(3)11/h1,4-6H2,2-3H3

InChIKey

IBDVWXAVKPRHCU-UHFFFAOYSA-N

Compound name

2-(2-methylprop-2-enoyloxy)ethyl 3-oxobutanoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 13
References: 17319
Patents: 214.08412 Da
Monoisotopic Mass: 0.8
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]+	215.09140	147.5
[M+Na]+	237.07334	154.7
[M+NH4]+	232.11794	151.7
[M+K]+	253.04728	152.5
[M-H]-	213.07684	143.4
[M+Na-2H]-	235.05879	147.4
[M]+	214.08357	146.7
[M]-	214.08467	146.7

Literature stripe

literature stripe

Patent stripe

patents stripe