CID 23132660

83847-54-5

Structural Information

Molecular Formula

C₁₂H₂₀O₄

SMILES

CC(C)CC1(OCC(O1)COC(=O)C=C)C

InChI

InChI=1S/C12H20O4/c1-5-11(13)14-7-10-8-15-12(4,16-10)6-9(2)3/h5,9-10H,1,6-8H2,2-4H3

InChIKey

BICNEUKUQARCEL-UHFFFAOYSA-N

Compound name

[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methyl prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 278
Patents: 228.13615 Da
Monoisotopic Mass: 2.3
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]+	229.14343	152.4
[M+Na]+	251.12537	158.3
[M-H]-	227.12887	156.7
[M+NH4]+	246.16997	171.6
[M+K]+	267.09931	160.0
[M+H-H2O]+	211.13341	148.3
[M+HCOO]-	273.13435	171.1
[M+CH3COO]-	287.15000	189.5
[M+Na-2H]-	249.11082	155.2
[M]+	228.13560	156.2
[M]-	228.13670	156.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe