CID 3020891

85665-82-3

Structural Information

Molecular Formula

C₂₁H₂₈O₂

SMILES

CC(C)C1=CC=C(C=C1)CC(C)C(O)OCCC2=CC=CC=C2

InChI

InChI=1S/C21H28O2/c1-16(2)20-11-9-19(10-12-20)15-17(3)21(22)23-14-13-18-7-5-4-6-8-18/h4-12,16-17,21-22H,13-15H2,1-3H3

InChIKey

UFSYSTJMMODDEE-UHFFFAOYSA-N

Compound name

2-methyl-1-(2-phenylethoxy)-3-(4-propan-2-ylphenyl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 312.20892 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]+	313.216196	179.5
[M+Na]+	335.198138	182.5
[M-H]-	311.201644	183.6
[M+NH4]+	330.242743	192.9
[M+K]+	351.172078	178.8
[M+H-H2O]+	295.206180	171.3
[M+HCOO]-	357.207121	197.3
[M+CH3COO]-	371.222771	208.1
[M+Na-2H]-	333.183586	178.8
[M]+	312.20837142	180.5
[M]-	312.20946858	180.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.