CID 118119

2-methyl-4-phenyl-1,3-dioxolane

Structural Information

Molecular Formula

C₁₀H₁₂O₂

SMILES

CC1OCC(O1)C2=CC=CC=C2

InChI

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

InChIKey

YPPGSWWESBCSCT-UHFFFAOYSA-N

Compound name

2-methyl-4-phenyl-1,3-dioxolane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 411
Patents: 164.08372 Da
Monoisotopic Mass: 1.8
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]+	165.09100	132.4
[M+Na]+	187.07294	139.8
[M-H]-	163.07644	140.4
[M+NH4]+	182.11754	152.2
[M+K]+	203.04688	140.5
[M+H-H2O]+	147.08098	127.0
[M+HCOO]-	209.08192	154.7
[M+CH3COO]-	223.09757	175.9
[M+Na-2H]-	185.05839	139.3
[M]+	164.08317	132.6
[M]-	164.08427	132.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe