CID 79508

Diallyl diglycolate

Structural Information

Molecular Formula

C₁₀H₁₄O₅

SMILES

C=CCOC(=O)COCC(=O)OCC=C

InChI

InChI=1S/C10H14O5/c1-3-5-14-9(11)7-13-8-10(12)15-6-4-2/h3-4H,1-2,5-8H2

InChIKey

OUJKULZFRNPRHO-UHFFFAOYSA-N

Compound name

prop-2-enyl 2-(2-oxo-2-prop-2-enoxyethoxy)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 310
Patents: 214.08412 Da
Monoisotopic Mass: 1.2
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	145.8
[M+Na]+	237.073338	152.1
[M-H]-	213.076844	145.6
[M+NH4]+	232.117943	164.3
[M+K]+	253.047278	151.8
[M+H-H2O]+	197.081380	140.3
[M+HCOO]-	259.082321	168.4
[M+CH3COO]-	273.097971	186.0
[M+Na-2H]-	235.058786	148.6
[M]+	214.08357142	151.7
[M]-	214.08466858	151.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe