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

6
Annotation Hits: 1
References: 192
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]+	177.090996	136.6
[M+Na]+	199.072938	143.0
[M-H]-	175.076444	144.0
[M+NH4]+	194.117543	155.5
[M+K]+	215.046878	142.8
[M+H-H2O]+	159.080980	130.8
[M+HCOO]-	221.081921	158.7
[M+CH3COO]-	235.097571	176.3
[M+Na-2H]-	197.058386	143.5
[M]+	176.08317142	135.9
[M]-	176.08426858	135.9

Literature stripe

literature stripe

Patent stripe

patents stripe