CID 138006

2-methyl-2-phenyl-1,3-dioxolane

Structural Information

Molecular Formula

C₁₀H₁₂O₂

SMILES

CC1(OCCO1)C2=CC=CC=C2

InChI

InChI=1S/C10H12O2/c1-10(11-7-8-12-10)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3

InChIKey

GAOQAPRPYXWTFK-UHFFFAOYSA-N

Compound name

2-methyl-2-phenyl-1,3-dioxolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 201
Patents: 164.08372 Da
Monoisotopic Mass: 1.5
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]+	165.090996	132.0
[M+Na]+	187.072938	139.4
[M-H]-	163.076444	140.0
[M+NH4]+	182.117543	153.5
[M+K]+	203.046878	140.3
[M+H-H2O]+	147.080980	127.0
[M+HCOO]-	209.081921	154.3
[M+CH3COO]-	223.097571	146.7
[M+Na-2H]-	185.058386	140.7
[M]+	164.08317142	132.0
[M]-	164.08426858	132.0

Literature stripe

literature stripe

Patent stripe

patents stripe