CID 122531

29818-16-4

Structural Information

Molecular Formula

C₁₀H₁₄O₅

SMILES

CC(COC(=O)C=C)OC(=O)CC(=O)C

InChI

InChI=1S/C10H14O5/c1-4-9(12)14-6-8(3)15-10(13)5-7(2)11/h4,8H,1,5-6H2,2-3H3

InChIKey

NGZDFOYYIXAAPC-UHFFFAOYSA-N

Compound name

1-prop-2-enoyloxypropan-2-yl 3-oxobutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 434
Patents: 214.08412 Da
Monoisotopic Mass: 0.9
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]+	215.091396	145.6
[M+Na]+	237.073338	151.5
[M-H]-	213.076844	145.6
[M+NH4]+	232.117943	163.9
[M+K]+	253.047278	152.1
[M+H-H2O]+	197.081380	140.4
[M+HCOO]-	259.082321	166.2
[M+CH3COO]-	273.097971	187.7
[M+Na-2H]-	235.058786	145.9
[M]+	214.08357142	150.2
[M]-	214.08466858	150.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe