CID 94001

58244-29-4

Structural Information

Molecular Formula

C₁₁H₁₄O₂

SMILES

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

InChI

InChI=1S/C11H14O2/c1-8-3-5-10(6-4-8)11-12-7-9(2)13-11/h3-6,9,11H,7H2,1-2H3

InChIKey

VPBUQMKUEPQXKR-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 35
Patents: 178.09938 Da
Monoisotopic Mass: 2.1
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]+	179.10666	136.9
[M+Na]+	201.08860	144.9
[M-H]-	177.09210	145.2
[M+NH4]+	196.13320	156.5
[M+K]+	217.06254	145.3
[M+H-H2O]+	161.09664	131.6
[M+HCOO]-	223.09758	158.9
[M+CH3COO]-	237.11323	180.0
[M+Na-2H]-	199.07405	142.6
[M]+	178.09883	137.8
[M]-	178.09993	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe