CID 110847

6413-97-4

Structural Information

Molecular Formula

C₁₃H₁₆O₂

SMILES

CC1C(OC(O1)C=CC2=CC=CC=C2)C

InChI

InChI=1S/C13H16O2/c1-10-11(2)15-13(14-10)9-8-12-6-4-3-5-7-12/h3-11,13H,1-2H3

InChIKey

VDWXISSGYHXTDT-UHFFFAOYSA-N

Compound name

4,5-dimethyl-2-(2-phenylethenyl)-1,3-dioxolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 204.11504 Da
Monoisotopic Mass: 2.8
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]+	205.12232	145.6
[M+Na]+	227.10426	153.0
[M-H]-	203.10776	153.5
[M+NH4]+	222.14886	164.1
[M+K]+	243.07820	152.3
[M+H-H2O]+	187.11230	140.0
[M+HCOO]-	249.11324	167.1
[M+CH3COO]-	263.12889	184.6
[M+Na-2H]-	225.08971	150.1
[M]+	204.11449	146.4
[M]-	204.11559	146.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe