CID 3085716

72138-91-1

Structural Information

Molecular Formula

C₁₂H₁₈O₃

SMILES

CC1=C(C(=CC=C1)C)OCC(OC)OC

InChI

InChI=1S/C12H18O3/c1-9-6-5-7-10(2)12(9)15-8-11(13-3)14-4/h5-7,11H,8H2,1-4H3

InChIKey

FYQURTMVHVDCSH-UHFFFAOYSA-N

Compound name

2-(2,2-dimethoxyethoxy)-1,3-dimethylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 210.1256 Da
Monoisotopic Mass: 2.5
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]+	211.13288	146.4
[M+Na]+	233.11482	154.0
[M-H]-	209.11832	150.2
[M+NH4]+	228.15942	165.7
[M+K]+	249.08876	153.6
[M+H-H2O]+	193.12286	140.3
[M+HCOO]-	255.12380	169.7
[M+CH3COO]-	269.13945	189.6
[M+Na-2H]-	231.10027	150.4
[M]+	210.12505	151.9
[M]-	210.12615	151.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe