CID 88720

20882-04-6

Structural Information

Molecular Formula

C₁₀H₁₄O₆

SMILES

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

InChI

InChI=1S/C10H14O6/c1-7(2)10(14)16-6-5-15-9(13)4-3-8(11)12/h1,3-6H2,2H3,(H,11,12)

InChIKey

ZEWLHMQYEZXSBH-UHFFFAOYSA-N

Compound name

4-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-oxobutanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 7326
Patents: 230.07904 Da
Monoisotopic Mass: 0.4
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]+	231.08632	148.9
[M+Na]+	253.06826	154.3
[M-H]-	229.07176	147.4
[M+NH4]+	248.11286	165.8
[M+K]+	269.04220	154.6
[M+H-H2O]+	213.07630	143.7
[M+HCOO]-	275.07724	168.3
[M+CH3COO]-	289.09289	187.3
[M+Na-2H]-	251.05371	148.8
[M]+	230.07849	153.1
[M]-	230.07959	153.1

Literature stripe

literature stripe

Patent stripe

patents stripe