CID 2232511

415724-02-6

Structural Information

Molecular Formula

C₁₉H₂₄O₂

SMILES

CC1=CC(=C(C=C1)C)OCCCOC2=C(C=CC(=C2)C)C

InChI

InChI=1S/C19H24O2/c1-14-6-8-16(3)18(12-14)20-10-5-11-21-19-13-15(2)7-9-17(19)4/h6-9,12-13H,5,10-11H2,1-4H3

InChIKey

KOWGJVKUFFVJJK-UHFFFAOYSA-N

Compound name

2-[3-(2,5-dimethylphenoxy)propoxy]-1,4-dimethylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 284.17764 Da
Monoisotopic Mass: 5.4
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]+	285.184916	168.2
[M+Na]+	307.166858	176.3
[M-H]-	283.170364	175.2
[M+NH4]+	302.211463	184.8
[M+K]+	323.140798	172.5
[M+H-H2O]+	267.174900	160.4
[M+HCOO]-	329.175841	191.3
[M+CH3COO]-	343.191491	205.7
[M+Na-2H]-	305.152306	170.7
[M]+	284.17709142	173.5
[M]-	284.17818858	173.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe