CID 6284401

Cinncloval

Structural Information

Molecular Formula

C₁₁H₁₂O₂

SMILES

C1COC(O1)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C11H12O2/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11/h1-7,11H,8-9H2/b7-6+

InChIKey

JQLASNFFJHGQTK-VOTSOKGWSA-N

Compound name

2-[(E)-2-phenylethenyl]-1,3-dioxolane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 178
Patents: 176.08372 Da
Monoisotopic Mass: 2.0
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]+	177.09100	137.6
[M+Na]+	199.07294	150.2
[M+NH4]+	194.11754	146.7
[M+K]+	215.04688	145.4
[M-H]-	175.07644	143.8
[M+Na-2H]-	197.05839	144.4
[M]+	176.08317	141.1
[M]-	176.08427	141.1

Literature stripe

literature stripe

Patent stripe

patents stripe