CID 5370364

(e)-4-methyl-2-(pent-1-enyl)-1,3-dioxolane

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

4
Annotation Hits: 0
References: 137
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	135.3
[M+Na]+	179.10426	142.0
[M-H]-	155.10776	139.6
[M+NH4]+	174.14886	155.7
[M+K]+	195.07820	142.9
[M+H-H2O]+	139.11230	130.7
[M+HCOO]-	201.11324	156.4
[M+CH3COO]-	215.12889	175.9
[M+Na-2H]-	177.08971	140.6
[M]+	156.11449	136.7
[M]-	156.11559	136.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe