CID 98081

2-(4-methoxyphenyl)-4-methyl-1,3-dioxolane

Structural Information

Molecular Formula

C₁₁H₁₄O₃

SMILES

CC1COC(O1)C2=CC=C(C=C2)OC

InChI

InChI=1S/C11H14O3/c1-8-7-13-11(14-8)9-3-5-10(12-2)6-4-9/h3-6,8,11H,7H2,1-2H3

InChIKey

DTACWEXJFYOAKS-UHFFFAOYSA-N

Compound name

2-(4-methoxyphenyl)-4-methyl-1,3-dioxolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 194.0943 Da
Monoisotopic Mass: 1.7
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]+	195.10158	140.0
[M+Na]+	217.08352	152.9
[M+NH4]+	212.12812	148.9
[M+K]+	233.05746	149.2
[M-H]-	193.08702	146.2
[M+Na-2H]-	215.06897	146.1
[M]+	194.09375	143.6
[M]-	194.09485	143.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe