CID 5370364

94089-21-1

Structural Information

Molecular Formula

C₉H₁₆O₂

SMILES

CCC/C=C/C1OCC(O1)C

InChI

InChI=1S/C9H16O2/c1-3-4-5-6-9-10-7-8(2)11-9/h5-6,8-9H,3-4,7H2,1-2H3/b6-5+

InChIKey

WMWBRDXHCMVBJG-AATRIKPKSA-N

Compound name

4-methyl-2-[(E)-pent-1-enyl]-1,3-dioxolane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 136
Patents: 156.11504 Da
Monoisotopic Mass: 2.1
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]+	157.12232	134.9
[M+Na]+	179.10426	145.3
[M+NH4]+	174.14886	143.1
[M+K]+	195.07820	141.6
[M-H]-	155.10776	138.4
[M+Na-2H]-	177.08971	137.7
[M]+	156.11449	137.2
[M]-	156.11559	137.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe